4-{1-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-4-phenyl-1H-imidazol-5-yl}-2-ethylpyrimidine

• ChemBase ID: 628291
• Molecular Formular: C23H25N5O
• Molecular Mass: 387.4775
• Monoisotopic Mass: 387.20591045
• SMILES: c1(c(ncn1CCCc1c(onc1C)C)c1ccccc1)c1nc(ncc1)CC
• Canonical SMILES: CCc1nccc(n1)c1n(CCCc2c(C)noc2C)cnc1c1ccccc1
• InChI: InChI=1S/C23H25N5O/c1-4-21-24-13-12-20(26-21)23-22(18-9-6-5-7-10-18)25-15-28(23)14-8-11-19-16(2)27-29-17(19)3/h5-7,9-10,12-13,15H,4,8,11,14H2,1-3H3
• InChIKey: RSTCPUABXJKEKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-4-phenyl-1H-imidazol-5-yl}-2-ethylpyrimidine
• IUPAC Traditional name: 4-{3-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-5-phenylimidazol-4-yl}-2-ethylpyrimidine
• Synonyms: 4-{1-[3-(3,5-dimethylisoxazol-4-yl)propyl]-4-phenyl-1H-imidazol-5-yl}-2-ethylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3881307
• LogD (pH = 7.4): 4.457129
• Log P: 4.458092
• Molar Refractivity: 114.3828 cm^3
• Polarizability: 45.36794 Å^3
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.55
• LOG S: -5.91
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 7