N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 589498
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c1(c2noc(c2)C)nnc(o1)CCC(=O)N[C@@H](c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)[C@H](NC(=O)CCc1nnc(o1)c1noc(c1)C)C
• InChI: InChI=1S/C18H20N4O4/c1-11-10-15(22-26-11)18-21-20-17(25-18)9-8-16(23)19-12(2)13-4-6-14(24-3)7-5-13/h4-7,10,12H,8-9H2,1-3H3,(H,19,23)/t12-/m1/s1
• InChIKey: OJKNCFCEMNPSTG-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.576468
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2774506
• LogD (pH = 7.4): 1.2774506
• Log P: 1.2774507
• Molar Refractivity: 105.8524 cm^3
• Polarizability: 36.063652 Å^3
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.15
• LOG S: -4.21
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 6