5-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 664207
• Molecular Formular: C19H19N3O2S
• Molecular Mass: 353.43806
• Monoisotopic Mass: 353.11979786
• SMILES: c1(C(=O)N(Cc2sc(cc2)C)Cc2ncccc2)c(C2CC2)ocn1
• Canonical SMILES: Cc1ccc(s1)CN(C(=O)c1ncoc1C1CC1)Cc1ccccn1
• InChI: InChI=1S/C19H19N3O2S/c1-13-5-8-16(25-13)11-22(10-15-4-2-3-9-20-15)19(23)17-18(14-6-7-14)24-12-21-17/h2-5,8-9,12,14H,6-7,10-11H2,1H3
• InChIKey: AHGVLMCOMZRTOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N-[(5-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0761404
• LogD (pH = 7.4): 3.0935714
• Log P: 3.0937984
• Molar Refractivity: 96.1026 cm^3
• Polarizability: 36.277023 Å^3
• Polar Surface Area: 59.23 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -1.79
• Polar Surface Area: 59.23 Å^2