N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1,7-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 326021
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1(c(cc2c1c(ccc2)C)C(=O)NCCCc1c(onc1C)C)C
• Canonical SMILES: Cc1onc(c1CCCNC(=O)c1cc2c(n1C)c(C)ccc2)C
• InChI: InChI=1S/C19H23N3O2/c1-12-7-5-8-15-11-17(22(4)18(12)15)19(23)20-10-6-9-16-13(2)21-24-14(16)3/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,23)
• InChIKey: VGIIQXPSVSHUEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1,7-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1,7-dimethylindole-2-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-1,7-dimethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.105022
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9565482
• LogD (pH = 7.4): 2.9566019
• Log P: 2.9566026
• Molar Refractivity: 96.0868 cm^3
• Polarizability: 36.519352 Å^3
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.68
• LOG S: -3.86
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 5