26701 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 26 27 28 8 8 7 7 6 6 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 3 3 3 4 4 5 5 5 6 6 6 7 7 9 9 9 10 10 12 12 13 13 14 14 15 15 16 8 9 11 5 8 22 8 11 6 7 17 7 18 19 20 21 10 11 23 12 13 14 24 15 25 16 26 16 27 28 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 9 1 10 11 23 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 26 27 28 2.8954 5.4645 2.6166 4.2044 3.0233 3.8324 2.9188 3.2044 3.7044 3.7044 4.5134 2.8384 4.5704 2.8384 4.5704 3.7044 2.411 4.2784 4.1791 3.0688 2.3003 2 4.2568 2.3014 5.1074 2.3014 5.1074 3.7044 -0.0402 -0.3492 1.7199 0.9109 2.6334 3.2212 3.628 0.9109 -0.628 -1.628 -0.0402 -2.128 -2.128 -3.128 -3.128 -3.628 2.7304 2.7905 3.7352 4.2296 3.6712 1.6551 -0.9094 -1.818 -1.818 -3.438 -3.438 -4.248 3 8 8 8 8 8 8 9 10 10 12 13 14 15 10 12 13 14 15 16 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 317 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000000000000000000000001800000100000000300000000000000000010000001E00100000000C3CE19806310082C00400A802215234020200012000000988814808890A263280BD1D8D300024D00108A80798C8A08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-oxazol-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-4-oxazolone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-1,3-oxazol-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-1,3-oxazol-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-1,3-oxazol-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopropylamino)-5-phenyl-2-oxazolin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DNRKTAYPGADPGW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1NC2=NC(=O)C(O2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1NC2=NC(=O)C(O2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.089877630 16 1 0 1 0 0 0 0 1 -1