8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 827555
• Molecular Formular: C19H21ClN2O3
• Molecular Mass: 360.83464
• Monoisotopic Mass: 360.12407022
• SMILES: c1(c(noc1C)c1c(Cl)cccc1)C(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: O=C(c1c(C)onc1c1ccccc1Cl)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C19H21ClN2O3/c1-13-16(17(21-25-13)14-5-2-3-6-15(14)20)18(23)22-10-8-19(9-11-22)7-4-12-24-19/h2-3,5-6H,4,7-12H2,1H3
• InChIKey: ATMAMIDCFVPDRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-{[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.763217
• LogD (pH = 7.4): 2.7632177
• Log P: 2.7632177
• Molar Refractivity: 96.9966 cm^3
• Polarizability: 37.72657 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.16
• LOG S: -2.82
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2