N-cyclohexyl-N-(pyridin-2-ylmethyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 760328
• Molecular Formular: C22H25N5O2
• Molecular Mass: 391.4662
• Monoisotopic Mass: 391.20082507
• SMILES: n1c(noc1CCC(=O)N(Cc1ncccc1)C1CCCCC1)c1ccncc1
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1ccccn1)CCc1onc(n1)c1ccncc1
• InChI: InChI=1S/C22H25N5O2/c28-21(10-9-20-25-22(26-29-20)17-11-14-23-15-12-17)27(19-7-2-1-3-8-19)16-18-6-4-5-13-24-18/h4-6,11-15,19H,1-3,7-10,16H2
• InChIKey: FXEQBUQQJCNWOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-(pyridin-2-ylmethyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
• IUPAC Traditional name: N-cyclohexyl-N-(pyridin-2-ylmethyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
• Synonyms: N-cyclohexyl-N-(pyridin-2-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9270618
• LogD (pH = 7.4): 2.9451594
• Log P: 2.9453952
• Molar Refractivity: 119.8256 cm^3
• Polarizability: 42.409252 Å^3
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.71
• LOG S: -3.07
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 7