3-methyl-7-{[1-(propan-2-yl)-1H-imidazol-5-yl]methyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 829185
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(=O)N(CC2(O1)CN(Cc1n(cnc1)C(C)C)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)Cc1cncn1C(C)C
• InChI: InChI=1S/C15H24N4O2/c1-12(2)19-11-16-7-13(19)8-18-6-4-5-15(10-18)9-17(3)14(20)21-15/h7,11-12H,4-6,8-10H2,1-3H3
• InChIKey: XRQFMPSMKWPEIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-{[1-(propan-2-yl)-1H-imidazol-5-yl]methyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[(3-isopropylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[(1-isopropyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4559798
• LogD (pH = 7.4): 0.44583833
• Log P: 0.795871
• Molar Refractivity: 80.5428 cm^3
• Polarizability: 31.143444 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.34
• LOG S: -1.93
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3