5-[1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-N-(pyridin-2-yl)thiophene-2-carboxamide

• ChemBase ID: 509816
• Molecular Formular: C19H18N4O3S
• Molecular Mass: 382.43622
• Monoisotopic Mass: 382.10996146
• SMILES: c1(C(=O)N2C(c3sc(C(=O)Nc4ncccc4)cc3)CCC2)ncoc1C
• Canonical SMILES: O=C(c1ccc(s1)C1CCCN1C(=O)c1ncoc1C)Nc1ccccn1
• InChI: InChI=1S/C19H18N4O3S/c1-12-17(21-11-26-12)19(25)23-10-4-5-13(23)14-7-8-15(27-14)18(24)22-16-6-2-3-9-20-16/h2-3,6-9,11,13H,4-5,10H2,1H3,(H,20,22,24)
• InChIKey: QHPAJLKYHJKHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-N-(pyridin-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: 5-[1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-N-(pyridin-2-yl)thiophene-2-carboxamide
• Synonyms: 5-{1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-2-pyrrolidinyl}-N-2-pyridinyl-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.000212
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5019476
• LogD (pH = 7.4): 2.502458
• Log P: 2.5025697
• Molar Refractivity: 102.6048 cm^3
• Polarizability: 37.614132 Å^3
• Polar Surface Area: 88.33 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: 1.58
• LOG S: -3.33
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4