8-(5-ethyl-1,3-oxazole-4-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 327965
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)C(CCC)C)CC2)ncoc1CC
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)c1ncoc1CC)C
• InChI: InChI=1S/C18H27N3O4/c1-4-6-13(3)21-11-18(25-17(21)23)7-9-20(10-8-18)16(22)15-14(5-2)24-12-19-15/h12-13H,4-11H2,1-3H3
• InChIKey: XOJZRAQOQPTEDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-ethyl-1,3-oxazole-4-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(5-ethyl-1,3-oxazole-4-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6867731
• LogD (pH = 7.4): 1.6867731
• Log P: 1.6867731
• Molar Refractivity: 92.4998 cm^3
• Polarizability: 35.37707 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -3.04
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5