9255 1 2 3 4 5 6 7 8 8 7 6 6 6 1 1 1 1 1 2 2 3 3 4 5 3 5 4 5 4 6 7 8 1 1 1 2 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2.809 3.309 2 2.309 3.618 1.4103 1.9446 4.2077 -0.7694 0.7694 -0.1816 0.7694 -0.1816 -0.3732 1.271 -0.3732 8 8 8 8 8 1 1 2 2 3 3 5 4 5 4 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.1 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100422000000000000000000000000000000160000000000000000000000000018000001E00000000000000E182062C8412081440A8001837D4040088201B42200840009B20000600000000200900000006001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-oxazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-oxazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-oxazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZCQWOFVYLHDMMC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 69.021463719 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H3NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 69.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC=N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC=N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 69.021463719 5 0 0 0 0 0 0 0 1 -1