N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(propan-2-yl)propanamide

• ChemBase ID: 533089
• Molecular Formular: C14H22N6O2
• Molecular Mass: 306.36348
• Monoisotopic Mass: 306.18042397
• SMILES: c1(nnc(o1)CC)CN(C(=O)CCc1n(cnn1)C)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)CCc1nncn1C)C(C)C
• InChI: InChI=1S/C14H22N6O2/c1-5-12-17-18-13(22-12)8-20(10(2)3)14(21)7-6-11-16-15-9-19(11)4/h9-10H,5-8H2,1-4H3
• InChIKey: UWQWYQRXHADSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.9177739
• LogD (pH = 7.4): -0.9176021
• Log P: -0.9176
• Molar Refractivity: 84.1755 cm^3
• Polarizability: 30.514105 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.16
• LOG S: -2.61
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 7