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

• ChemBase ID: 421047
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(Cc1nc(no1)COC)CC
• Canonical SMILES: COCc1noc(n1)CN(C(=O)CCn1c(C)cc2c1cccc2)CC
• InChI: InChI=1S/C19H24N4O3/c1-4-22(12-18-20-17(13-25-3)21-26-18)19(24)9-10-23-14(2)11-15-7-5-6-8-16(15)23/h5-8,11H,4,9-10,12-13H2,1-3H3
• InChIKey: LHFDFLOLRCJQBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.223609
• LogD (pH = 7.4): 2.223609
• Log P: 2.223609
• Molar Refractivity: 99.9726 cm^3
• Polarizability: 38.62174 Å^3
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.97
• LOG S: -3.48
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 8