N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-indene-1-carboxamide

• ChemBase ID: 744799
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c(noc1CN(C(=O)C1c2c(CC1)cccc2)C)c1ccncc1
• Canonical SMILES: CN(C(=O)C1CCc2c1cccc2)Cc1onc(n1)c1ccncc1
• InChI: InChI=1S/C19H18N4O2/c1-23(19(24)16-7-6-13-4-2-3-5-15(13)16)12-17-21-18(22-25-17)14-8-10-20-11-9-14/h2-5,8-11,16H,6-7,12H2,1H3
• InChIKey: KMKOGPRYFIIQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-indene-1-carboxamide
• IUPAC Traditional name: N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-indene-1-carboxamide
• Synonyms: N-methyl-N-{[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-1-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.698255
• LogD (pH = 7.4): 2.698797
• Log P: 2.698804
• Molar Refractivity: 104.6046 cm^3
• Polarizability: 35.937458 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.48
• LOG S: -3.76
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4