2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 831121
• Molecular Formular: C18H25N5O2S
• Molecular Mass: 375.4884
• Monoisotopic Mass: 375.17289607
• SMILES: c1(CN2C(=O)CC3(C2)CCN(Cc2c(nns2)C)CC3)c(onc1C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)onc1C)CCN(CC2)Cc1snnc1C
• InChI: InChI=1S/C18H25N5O2S/c1-12-15(14(3)25-20-12)9-23-11-18(8-17(23)24)4-6-22(7-5-18)10-16-13(2)19-21-26-16/h4-11H2,1-3H3
• InChIKey: OOQPFZRYEPVVSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-8-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5090346
• LogD (pH = 7.4): 0.18226017
• Log P: 0.6271145
• Molar Refractivity: 101.6312 cm^3
• Polarizability: 37.8777 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.19
• LOG S: -2.95
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4