N-(2-hydroxyethyl)-3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(propan-2-yl)propanamide

• ChemBase ID: 521593
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1nc(oc1CCc1c[nH]c2c1cccc2)CCC(=O)N(C(C)C)CCO
• Canonical SMILES: OCCN(C(=O)CCc1nnc(o1)CCc1c[nH]c2c1cccc2)C(C)C
• InChI: InChI=1S/C20H26N4O3/c1-14(2)24(11-12-25)20(26)10-9-19-23-22-18(27-19)8-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13-14,21,25H,7-12H2,1-2H3
• InChIKey: SCUCYMVEVTURDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-isopropylpropanamide
• Synonyms: N-(2-hydroxyethyl)-3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-isopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.561935
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1270386
• LogD (pH = 7.4): 1.1270387
• Log P: 1.1270387
• Molar Refractivity: 104.243 cm^3
• Polarizability: 40.316463 Å^3
• Polar Surface Area: 95.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.21
• LOG S: -4.35
• Polar Surface Area: 95.25 Å^2
• Rotatable Bonds: 8