N-methyl-3-(2-methyl-1H-indol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide

• ChemBase ID: 538820
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(Cc1nocc1)C
• Canonical SMILES: O=C(N(Cc1nocc1)C)CCn1c(C)cc2c1cccc2
• InChI: InChI=1S/C17H19N3O2/c1-13-11-14-5-3-4-6-16(14)20(13)9-7-17(21)19(2)12-15-8-10-22-18-15/h3-6,8,10-11H,7,9,12H2,1-2H3
• InChIKey: XLQDLWAFPOPAIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-methyl-1H-indol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-(2-methylindol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propanamide
• Synonyms: N-(isoxazol-3-ylmethyl)-N-methyl-3-(2-methyl-1H-indol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.021141
• LogD (pH = 7.4): 2.021141
• Log P: 2.021141
• Molar Refractivity: 85.1229 cm^3
• Polarizability: 33.280586 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.29
• LOG S: -3.32
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5