N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 466514
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)CCc1nc(no1)c1ccccc1
• Canonical SMILES: O=C(CCc1onc(n1)c1ccccc1)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H21N5O3/c1-13-12-14(2)24(19(26)21-13)11-10-20-16(25)8-9-17-22-18(23-27-17)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,20,25)
• InChIKey: XTAMUPDPHNFKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.270347
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7756412
• LogD (pH = 7.4): 1.7756413
• Log P: 1.7756413
• Molar Refractivity: 112.4402 cm^3
• Polarizability: 38.167725 Å^3
• Polar Surface Area: 100.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.0
• LOG S: -2.73
• Polar Surface Area: 102.91 Å^2
• Rotatable Bonds: 7