N-cyclopentyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 679047
• Molecular Formular: C19H20N2O2S
• Molecular Mass: 340.4393
• Monoisotopic Mass: 340.12454889
• SMILES: C(=O)(N(Cc1cscc1)C1CCCC1)c1cc2oc(nc2cc1)C
• Canonical SMILES: Cc1nc2c(o1)cc(cc2)C(=O)N(C1CCCC1)Cc1cscc1
• InChI: InChI=1S/C19H20N2O2S/c1-13-20-17-7-6-15(10-18(17)23-13)19(22)21(16-4-2-3-5-16)11-14-8-9-24-12-14/h6-10,12,16H,2-5,11H2,1H3
• InChIKey: YMHACNIGCTUODW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-benzoxazole-6-carboxamide
• Synonyms: N-cyclopentyl-2-methyl-N-(3-thienylmethyl)-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6005337
• LogD (pH = 7.4): 3.6005394
• Log P: 3.6005394
• Molar Refractivity: 94.1672 cm^3
• Polarizability: 36.98146 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.24
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4