N-(1-carbamoylcyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 556584
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: n1c(oc2c1ccc(C(=O)NC1(C(=O)N)CCCC1)c2)C
• Canonical SMILES: Cc1nc2c(o1)cc(cc2)C(=O)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C15H17N3O3/c1-9-17-11-5-4-10(8-12(11)21-9)13(19)18-15(14(16)20)6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H2,16,20)(H,18,19)
• InChIKey: DMOCTKSDGHXLLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-2-methyl-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.509934
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.77113026
• LogD (pH = 7.4): 0.7711361
• Log P: 0.7711362
• Molar Refractivity: 75.4987 cm^3
• Polarizability: 29.966343 Å^3
• Polar Surface Area: 98.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.13
• LOG S: -2.72
• Polar Surface Area: 98.22 Å^2
• Rotatable Bonds: 3