N-(dimethyl-1,2-oxazol-4-yl)-3-({2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl}methyl)benzamide

• ChemBase ID: 491055
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: c1(NC(=O)c2cc(CN3CCC4(OC(=O)NC4)CC3)ccc2)c(onc1C)C
• Canonical SMILES: O=C1NCC2(O1)CCN(CC2)Cc1cccc(c1)C(=O)Nc1c(C)noc1C
• InChI: InChI=1S/C20H24N4O4/c1-13-17(14(2)28-23-13)22-18(25)16-5-3-4-15(10-16)11-24-8-6-20(7-9-24)12-21-19(26)27-20/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,26)(H,22,25)
• InChIKey: ZOJJWZKCBOHNKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dimethyl-1,2-oxazol-4-yl)-3-({2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl}methyl)benzamide
• IUPAC Traditional name: N-(dimethyl-1,2-oxazol-4-yl)-3-({2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl}methyl)benzamide
• Synonyms: N-(3,5-dimethylisoxazol-4-yl)-3-[(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.754157
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1751392
• LogD (pH = 7.4): 0.5557898
• Log P: 1.1035635
• Molar Refractivity: 105.6872 cm^3
• Polarizability: 39.19677 Å^3
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.24
• LOG S: -3.06
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 4