N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 410714
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(C(=O)NC2CN(C3Cc4c(C3)cccc4)CCC2)ncoc1C
• Canonical SMILES: O=C(c1ncoc1C)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H23N3O2/c1-13-18(20-12-24-13)19(23)21-16-7-4-8-22(11-16)17-9-14-5-2-3-6-15(14)10-17/h2-3,5-6,12,16-17H,4,7-11H2,1H3,(H,21,23)
• InChIKey: LWJLBZHIDBWCHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-5-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.354393
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.54427224
• LogD (pH = 7.4): 1.2275816
• Log P: 2.1718643
• Molar Refractivity: 93.0979 cm^3
• Polarizability: 35.15664 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -3.57
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 3