N-methyl-3-(2-methyl-1H-indol-1-yl)-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

• ChemBase ID: 665172
• Molecular Formular: C21H21N5O2
• Molecular Mass: 375.42374
• Monoisotopic Mass: 375.16952494
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(Cc1nc(no1)c1ccncc1)C
• Canonical SMILES: O=C(N(Cc1onc(n1)c1ccncc1)C)CCn1c(C)cc2c1cccc2
• InChI: InChI=1S/C21H21N5O2/c1-15-13-17-5-3-4-6-18(17)26(15)12-9-20(27)25(2)14-19-23-21(24-28-19)16-7-10-22-11-8-16/h3-8,10-11,13H,9,12,14H2,1-2H3
• InChIKey: IFPQAWAKCFCLHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-methyl-1H-indol-1-yl)-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• IUPAC Traditional name: N-methyl-3-(2-methylindol-1-yl)-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• Synonyms: N-methyl-3-(2-methyl-1H-indol-1-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.712418
• LogD (pH = 7.4): 2.7129602
• Log P: 2.7129672
• Molar Refractivity: 117.4004 cm^3
• Polarizability: 41.794697 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.35
• LOG S: -3.95
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6