3-ethyl-8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 625556
• Molecular Formular: C14H22N4O4
• Molecular Mass: 310.34888
• Monoisotopic Mass: 310.1641052
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1nc(no1)COC)CC2)CC
• Canonical SMILES: COCc1noc(n1)CN1CCC2(CC1)OC(=O)N(C2)CC
• InChI: InChI=1S/C14H22N4O4/c1-3-18-10-14(21-13(18)19)4-6-17(7-5-14)8-12-15-11(9-20-2)16-22-12/h3-10H2,1-2H3
• InChIKey: OFVIKDZLSHRXKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-ethyl-8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-ethyl-8-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.89270586
• LogD (pH = 7.4): 0.063336916
• Log P: 0.1103932
• Molar Refractivity: 79.6367 cm^3
• Polarizability: 30.314276 Å^3
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.63
• LOG S: -0.99
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 5