5-ethyl-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 437748
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: c1(C(=O)NC2c3c(nc(nc3)c3cnccc3)CCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)NC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C19H19N5O2/c1-2-16-17(22-11-26-16)19(25)24-15-7-3-6-14-13(15)10-21-18(23-14)12-5-4-8-20-9-12/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,24,25)
• InChIKey: PHAOIUMUCJFKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethyl-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-ethyl-N-[2-(3-pyridinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.214877
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7645259
• LogD (pH = 7.4): 1.7731371
• Log P: 1.7732482
• Molar Refractivity: 106.3333 cm^3
• Polarizability: 36.510597 Å^3
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.29
• LOG S: -4.14
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 3