{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase ID: 541974
• Molecular Formular: C16H17ClN4O2
• Molecular Mass: 332.78478
• Monoisotopic Mass: 332.10400348
• SMILES: n1c(c(oc1c1cc(Cl)ccc1)C)CN(Cc1nnc(o1)C)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1cccc(c1)Cl)Cc1nnc(o1)C
• InChI: InChI=1S/C16H17ClN4O2/c1-10-14(8-21(3)9-15-20-19-11(2)23-15)18-16(22-10)12-5-4-6-13(17)7-12/h4-7H,8-9H2,1-3H3
• InChIKey: CKLBXBYDNXQSPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC Traditional name: {[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• Synonyms: 1-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4201977
• LogD (pH = 7.4): 1.6643276
• Log P: 1.6685262
• Molar Refractivity: 99.1499 cm^3
• Polarizability: 33.756924 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.04
• LOG S: -3.0
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5