68157 1 2 3 4 5 6 7 8 9 10 8 7 6 6 6 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 3 5 4 5 4 6 7 8 9 10 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.809 3.309 2 2.309 3.618 1.4336 1.69 2.3738 1.7026 4.2077 -0.7694 0.7694 -0.1816 0.7694 -0.1816 0.0705 -0.7186 1.386 0.8983 -0.3732 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.9 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 0000037180422000000000000000000000000000000100000000000000000000000000000000001E00000000000000E180060000020004002000000104000000000000000000000000000200000000000100000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5-dihydrooxazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5-dihydrooxazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5-dihydro-1,3-oxazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5-dihydro-1,3-oxazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5-dihydro-1,3-oxazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IMSODMZESSGVBE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 71.037113783 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H5NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 71.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COC=N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COC=N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 71.037113783 5 0 0 0 0 0 0 0 1 -1