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

• ChemBase ID: 713064
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: c1(C(=O)N2CC3(C(=O)N(C4CCOCC4)CCC3)CC2)c(nco1)C
• Canonical SMILES: Cc1ncoc1C(=O)N1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C18H25N3O4/c1-13-15(25-12-19-13)16(22)20-8-6-18(11-20)5-2-7-21(17(18)23)14-3-9-24-10-4-14/h12,14H,2-11H2,1H3
• InChIKey: PNXOJZCVXQKHJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.82240605
• LogD (pH = 7.4): -0.82240397
• Log P: -0.82240397
• Molar Refractivity: 91.1966 cm^3
• Polarizability: 34.66443 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.97
• LOG S: -2.21
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 2