CID 28605671
PubChem CID
28605671
Structure
Molecular Formula
Status
Non-live
Molecular Weight
264.25 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
5-(4-phenylphenyl)-1,2-oxazole-3-carboxylate
InChI=1S/C16H11NO3/c18-16(19)14-10-15(20-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)/p-1
BNXVUFWYOPFLPL-UHFFFAOYSA-M
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NO3)C(=O)[O-]
C16H10NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.25 g/mol
Property Name
XLogP3
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
264.066068181 g/mol
Property Name
Monoisotopic Mass
Property Value
264.066068181 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
327
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS