2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 829785
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: c1(c(c(on1)C)COC)C(=O)N1CC2(C(=O)N(C(C)C)CCC2)CC1
• Canonical SMILES: COCc1c(C)onc1C(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C18H27N3O4/c1-12(2)21-8-5-6-18(17(21)23)7-9-20(11-18)16(22)15-14(10-24-4)13(3)25-19-15/h12H,5-11H2,1-4H3
• InChIKey: QZWAYBVLKPEOLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.82226354
• LogD (pH = 7.4): 0.822264
• Log P: 0.8222641
• Molar Refractivity: 94.4969 cm^3
• Polarizability: 35.375473 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.56
• LOG S: -2.58
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4