2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

• ChemBase ID: 750925
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: n1c(nc(c2c1CCCC2)C)CCNC(=O)Cc1onc(c1)C
• Canonical SMILES: O=C(Cc1onc(c1)C)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C17H22N4O2/c1-11-9-13(23-21-11)10-17(22)18-8-7-16-19-12(2)14-5-3-4-6-15(14)20-16/h9H,3-8,10H2,1-2H3,(H,18,22)
• InChIKey: DQKQVDUGCFMBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
• Synonyms: 2-(3-methyl-5-isoxazolyl)-N-[2-(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.806341
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5587262
• LogD (pH = 7.4): 1.5590695
• Log P: 1.5590739
• Molar Refractivity: 87.1324 cm^3
• Polarizability: 32.721764 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.65
• LOG S: -4.52
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 5