N-[2-(1H-indol-3-yl)ethyl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

• ChemBase ID: 218962
• Molecular Formular: C17H19N3O3
• Molecular Mass: 313.35106
• Monoisotopic Mass: 313.14264148
• SMILES: n1c(cc(o1)CCC(=O)NCCc1c[nH]c2c1cccc2)OC
• Canonical SMILES: COc1noc(c1)CCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C17H19N3O3/c1-22-17-10-13(23-20-17)6-7-16(21)18-9-8-12-11-19-15-5-3-2-4-14(12)15/h2-5,10-11,19H,6-9H2,1H3,(H,18,21)
• InChIKey: KZBYSJGXMMIMAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

Database IDs

• PubChem SID: 164274872
• PubChem CID: 16408897

CALCULATED PROPERTIES

• Acid pKa: 15.14445
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1496177
• LogD (pH = 7.4): 2.149618
• Log P: 2.149618
• Molar Refractivity: 87.3898 cm^3
• Polarizability: 34.034763 Å^3
• Polar Surface Area: 80.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds