N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)oxolane-2-carboxamide

• ChemBase ID: 463727
• Molecular Formular: C23H29N3O4
• Molecular Mass: 411.49406
• Monoisotopic Mass: 411.21580642
• SMILES: c1(nc(c(o1)C)CNC(=O)C1OCCC1)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1oc(c(n1)CNC(=O)C1CCCO1)C)CC1CCCC1
• InChI: InChI=1S/C23H29N3O4/c1-15-19(14-24-22(28)20-11-6-12-29-20)26-23(30-15)17-9-4-5-10-18(17)25-21(27)13-16-7-2-3-8-16/h4-5,9-10,16,20H,2-3,6-8,11-14H2,1H3,(H,24,28)(H,25,27)
• InChIKey: DDAOHJGCCXXDIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)oxolane-2-carboxamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)oxolane-2-carboxamide
• Synonyms: N-[(2-{2-[(cyclopentylacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.470055
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.70443
• LogD (pH = 7.4): 2.7044299
• Log P: 2.7044332
• Molar Refractivity: 124.1927 cm^3
• Polarizability: 43.94001 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.68
• LOG S: -4.95
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 7