2-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 492588
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: n1c(oc2c1ccc(C(=O)NC1(CN3CCOCC3)CCCC1)c2)C
• Canonical SMILES: Cc1nc2c(o1)cc(cc2)C(=O)NC1(CCCC1)CN1CCOCC1
• InChI: InChI=1S/C19H25N3O3/c1-14-20-16-5-4-15(12-17(16)25-14)18(23)21-19(6-2-3-7-19)13-22-8-10-24-11-9-22/h4-5,12H,2-3,6-11,13H2,1H3,(H,21,23)
• InChIKey: JJJPGLSRRPEISL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: 2-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1,3-benzoxazole-6-carboxamide
• Synonyms: 2-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.641927
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22969334
• LogD (pH = 7.4): 1.4880114
• Log P: 1.5958612
• Molar Refractivity: 94.5353 cm^3
• Polarizability: 37.5991 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.36
• LOG S: -2.87
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 4