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

• ChemBase ID: 434148
• Molecular Formular: C24H33N5O3
• Molecular Mass: 439.55052
• Monoisotopic Mass: 439.25833994
• SMILES: n1nc(oc1CCc1c[nH]c2c1cccc2)CCC(=O)NCCCCCN1CCOCC1
• Canonical SMILES: O=C(CCc1nnc(o1)CCc1c[nH]c2c1cccc2)NCCCCCN1CCOCC1
• InChI: InChI=1S/C24H33N5O3/c30-22(25-12-4-1-5-13-29-14-16-31-17-15-29)9-11-24-28-27-23(32-24)10-8-19-18-26-21-7-3-2-6-20(19)21/h2-3,6-7,18,26H,1,4-5,8-17H2,(H,25,30)
• InChIKey: WWLJZIPOIKQRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.418651
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.56140286
• LogD (pH = 7.4): 1.1503541
• Log P: 1.6421168
• Molar Refractivity: 125.0912 cm^3
• Polarizability: 48.552376 Å^3
• Polar Surface Area: 96.28 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.36
• LOG S: -4.42
• Polar Surface Area: 96.28 Å^2
• Rotatable Bonds: 12