5-cyclopropyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 457682
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: o1c(nnc1NCc1nc2c(c(n1)C)CCCC2)C1CC1
• Canonical SMILES: Cc1nc(CNc2nnc(o2)C2CC2)nc2c1CCCC2
• InChI: InChI=1S/C15H19N5O/c1-9-11-4-2-3-5-12(11)18-13(17-9)8-16-15-20-19-14(21-15)10-6-7-10/h10H,2-8H2,1H3,(H,16,20)
• InChIKey: FKLRJOOJUHUSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.82281
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8248733
• LogD (pH = 7.4): 1.8095413
• Log P: 1.8250756
• Molar Refractivity: 80.9281 cm^3
• Polarizability: 29.21866 Å^3
• Polar Surface Area: 76.73 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: 1.59
• LOG S: -3.32
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 4