N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide

• ChemBase ID: 363260
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: c1(c(onc1C)C)CCC(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)CCc1c(C)noc1C
• InChI: InChI=1S/C20H26N2O3/c1-14-17(15(2)25-22-14)11-12-20(23)21-18-9-6-10-19(18)24-13-16-7-4-3-5-8-16/h3-5,7-8,18-19H,6,9-13H2,1-2H3,(H,21,23)/t18-,19-/m1/s1
• InChIKey: CUARSBKIASOXLZ-RTBURBONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(3,5-dimethylisoxazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.188586
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8151171
• LogD (pH = 7.4): 2.8151703
• Log P: 2.815171
• Molar Refractivity: 97.0072 cm^3
• Polarizability: 37.173424 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -3.84
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 7