2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID
522928
Structure
Molecular Formula
Synonyms
- 2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole
- 897-18-7
- 2-(naphthalen-1-yl)-5-phenyl-1,3,4-oxadiazole
- .alpha.-Npd
- 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
Molecular Weight
272.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Chemical Structure Depiction
2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PNPLRTWSLDSFET-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H12N2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole
- 897-18-7
- 2-(naphthalen-1-yl)-5-phenyl-1,3,4-oxadiazole
- .alpha.-Npd
- 2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole
- 1,3,4-Oxadiazole,2-(1-naphthalenyl)-5-phenyl-
- EINECS 212-979-3
- Maybridge4_001977
- SCHEMBL4333750
- DTXSID00237859
- HMS1526J19
- MFCD00045583
- AKOS024318928
- NCGC00177055-01
- DB-057158
- 2-Phenyl-5-(1-naphthyl)-l,3,4-oxadiazol
- CS-0459335
- NS00039341
- 1,3,4-Oxadiazole, 2-(1-naphthyl)-5-phenyl-
- 1,3,4-Oxadiazole, 2-(1-naphthalenyl)-5-phenyl-
- BRD-K48838944-001-01-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
272.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
272.094963011 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
272.094963011 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
38.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
342
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
136433
Library
Main library
Total Peaks
62
m/z Top Peak
272
m/z 2nd Highest
215
m/z 3rd Highest
127
Thumbnail
NIST Number
267434
Library
Replicate library
Total Peaks
94
m/z Top Peak
272
m/z 2nd Highest
215
m/z 3rd Highest
155
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PNPLRTWSLDSFET-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://commonchemistry.cas.org/detail?cas_rn=897-18-7
- ChemIDplus2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000897187ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://comptox.epa.gov/dashboard/DTXSID00237859CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://echa.europa.eu/substance-information/-/substanceinfo/100.011.800
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/B0JRktluAQy2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/DsIk5wma0z1
- Springer Nature
- SpringerMaterials2-Phenyl-5-(1-naphthyl)-l,3,4-oxadiazolhttps://materials.springer.com/substanceprofile/docs/smsid_qzelbuqcvnijftuv
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazolehttps://www.wikidata.org/wiki/Q83120107
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396440479https://pubchem.ncbi.nlm.nih.gov/substance/396440479
CONTENTS