N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(quinazolin-4-yl)amino]pentanamide

• ChemBase ID: 831068
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: c1(c2c(ncn1)cccc2)NC(C(=O)NCc1nnc(o1)C)CCC
• Canonical SMILES: CCCC(C(=O)NCc1nnc(o1)C)Nc1ncnc2c1cccc2
• InChI: InChI=1S/C17H20N6O2/c1-3-6-14(17(24)18-9-15-23-22-11(2)25-15)21-16-12-7-4-5-8-13(12)19-10-20-16/h4-5,7-8,10,14H,3,6,9H2,1-2H3,(H,18,24)(H,19,20,21)
• InChIKey: HXOZPIAKGKKBSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(quinazolin-4-yl)amino]pentanamide
• IUPAC Traditional name: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide
• Synonyms: N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.199582
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.75268084
• LogD (pH = 7.4): 0.82401586
• Log P: 0.8250143
• Molar Refractivity: 95.0361 cm^3
• Polarizability: 35.914806 Å^3
• Polar Surface Area: 105.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.6
• LOG S: -2.19
• Polar Surface Area: 105.83 Å^2
• Rotatable Bonds: 7