N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide

• ChemBase ID: 402630
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(noc1C1CCCC1)CN(C(=O)CCc1nc2n(c1)cccc2)C
• Canonical SMILES: CN(C(=O)CCc1nc2n(c1)cccc2)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H23N5O2/c1-23(13-16-21-19(26-22-16)14-6-2-3-7-14)18(25)10-9-15-12-24-11-5-4-8-17(24)20-15/h4-5,8,11-12,14H,2-3,6-7,9-10,13H2,1H3
• InChIKey: VICYBEFQIDNZSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• IUPAC Traditional name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• Synonyms: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-imidazo[1,2-a]pyridin-2-yl-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6402752
• LogD (pH = 7.4): 2.3694336
• Log P: 2.3970528
• Molar Refractivity: 98.8181 cm^3
• Polarizability: 36.8266 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.08
• LOG S: -2.7
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 6