3-(4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 515485
• Molecular Formular: C16H17N3O4
• Molecular Mass: 315.32388
• Monoisotopic Mass: 315.12190604
• SMILES: n1c(noc1COc1ccc(N2C(=O)OCC2)cc1)CC1CC1
• Canonical SMILES: O=C1OCCN1c1ccc(cc1)OCc1onc(n1)CC1CC1
• InChI: InChI=1S/C16H17N3O4/c20-16-19(7-8-21-16)12-3-5-13(6-4-12)22-10-15-17-14(18-23-15)9-11-1-2-11/h3-6,11H,1-2,7-10H2
• InChIKey: LMERMGJNAKGUAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(4-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5130565
• LogD (pH = 7.4): 2.5130568
• Log P: 2.5130568
• Molar Refractivity: 81.3091 cm^3
• Polarizability: 30.872698 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.12
• LOG S: -2.46
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6