92196 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 9 9 10 10 11 11 12 12 13 4 8 5 8 8 24 25 5 6 14 7 15 9 10 16 17 18 11 19 12 20 13 21 13 22 23 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 4 1 5 6 14 3 1 5 2 4 7 15 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 2.8954 4.2044 2.6166 3.7044 4.5134 3.7044 5.4645 3.2044 2.8384 4.5704 2.8384 4.5704 3.7044 4.2568 4.9518 5.2729 6.0541 5.656 2.3014 5.1074 2.3014 5.1074 3.7044 2.8688 2 0.6307 1.5817 2.3907 0.0429 0.6307 -0.9571 0.3216 1.5817 -1.4571 -1.4571 -2.4571 -2.4571 -2.9571 -0.2386 1.0691 -0.268 0.13 0.9113 -1.1471 -1.1471 -2.7671 -2.7671 -3.5771 2.9571 2.3259 3 3 8 8 8 8 8 8 4 5 6 6 9 10 11 12 6 7 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 209 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0732000000000000000000000000000000100000000300000000000000000010000001E00100000000C3CE19806330082400400A002204224000200012000000888000008890A262280B11989300024C00108A80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-5-phenyl-2-oxazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LJQBMYDFWFGESC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.094963011 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H12N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C(OC(=N1)N)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C(OC(=N1)N)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 47.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.094963011 13 2 0 2 0 0 0 0 1 -1