8-(dimethyl-1,2-oxazole-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 577665
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CCCCCC)CC2)c(onc1C)C
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1c(C)noc1C
• InChI: InChI=1S/C19H29N3O4/c1-4-5-6-7-10-22-13-19(25-18(22)24)8-11-21(12-9-19)17(23)16-14(2)20-26-15(16)3/h4-13H2,1-3H3
• InChIKey: VXWVREDQKMEYJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(dimethyl-1,2-oxazole-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(dimethyl-1,2-oxazole-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(3,5-dimethylisoxazol-4-yl)carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8049775
• LogD (pH = 7.4): 1.8049867
• Log P: 1.8049868
• Molar Refractivity: 98.4551 cm^3
• Polarizability: 37.130756 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.12
• LOG S: -3.66
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6