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 2.309 3.618 3.309 2 4.2077 3.6734 1.4103 -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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.402 Cactvs xemistry.com 2012.05.21 30.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.402 Cactvs xemistry.com 2012.05.21 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.402 Cactvs xemistry.com 2012.05.21 0 Count Rotatable Bond 5 E_NROTBONDS 3.402 Cactvs xemistry.com 2012.05.21 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.402 Cactvs xemistry.com 2012.05.21 0000037100422000000000000000000000000000000160000000000000000000000000018000001E00000000000000E182062C8412081440A8001837D4040088201B42200840009B20000600000000200900000006001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.05.21 oxazole IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.05.21 oxazole IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.05.21 1,3-oxazole IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.05.21 1,3-oxazole IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.05.21 oxazole InChI Standard 1 1.0.4 InChI iupac.org 2012.05.21 InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H InChIKey Standard 1 1.0.4 InChI iupac.org 2012.05.21 ZCQWOFVYLHDMMC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.05.21 0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 69.021464 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 C3H3NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 69.06202 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.05.21 C1=COC=N1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.05.21 C1=COC=N1 Topological Polar Surface Area 7 E_TPSA 3.402 Cactvs xemistry.com 2012.05.21 26 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 69.021464 5 0 0 0 0 0 0 0 1 1