N-cyclopropyl-2-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 762156
• Molecular Formular: C19H20N2O3S
• Molecular Mass: 356.4387
• Monoisotopic Mass: 356.11946351
• SMILES: C(=O)(N(C1CC1)Cc1cscc1)c1cc2oc(nc2cc1)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)N(C1CC1)Cc1cscc1
• InChI: InChI=1S/C19H20N2O3S/c1-23-8-6-18-20-16-5-2-14(10-17(16)24-18)19(22)21(15-3-4-15)11-13-7-9-25-12-13/h2,5,7,9-10,12,15H,3-4,6,8,11H2,1H3
• InChIKey: GQCSBXTYNOUGLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7742906
• LogD (pH = 7.4): 2.7742934
• Log P: 2.7742934
• Molar Refractivity: 96.118 cm^3
• Polarizability: 37.681942 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.87
• LOG S: -3.4
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7