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

• ChemBase ID: 219058
• Molecular Formular: C18H21N3O4
• Molecular Mass: 343.37704
• Monoisotopic Mass: 343.15320617
• SMILES: n1c(cc(o1)CCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)OC
• Canonical SMILES: COc1noc(c1)CCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C18H21N3O4/c1-23-13-3-5-16-15(9-13)12(11-20-16)7-8-19-17(22)6-4-14-10-18(24-2)21-25-14/h3,5,9-11,20H,4,6-8H2,1-2H3,(H,19,22)
• InChIKey: HJICTMDOHIRZDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274968
• PubChem CID: 16408982

CALCULATED PROPERTIES

• Acid pKa: 15.0428915
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9919465
• LogD (pH = 7.4): 1.9919466
• Log P: 1.9919466
• Molar Refractivity: 93.853 cm^3
• Polarizability: 36.558754 Å^3
• Polar Surface Area: 89.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds