2-chloro-N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N-(propan-2-yl)acetamide

• ChemBase ID: 251347
• Molecular Formular: C14H15Cl2N3O2
• Molecular Mass: 328.1938
• Monoisotopic Mass: 327.0541321
• SMILES: c1(nnc(o1)CN(C(=O)CCl)C(C)C)c1c(Cl)cccc1
• Canonical SMILES: ClCC(=O)N(C(C)C)Cc1nnc(o1)c1ccccc1Cl
• InChI: InChI=1S/C14H15Cl2N3O2/c1-9(2)19(13(20)7-15)8-12-17-18-14(21-12)10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3
• InChIKey: KZQZHZHQFYJXQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N-isopropylacetamide
• Synonyms: 2-chloro-N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N-isopropylacetamide

Database IDs

• MDL Number: MFCD07687081
• PubChem SID: 164307257
• PubChem CID: 7131714

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1356847
• LogD (pH = 7.4): 2.1356847
• Log P: 2.1356847
• Molar Refractivity: 92.9515 cm^3
• Polarizability: 31.75687 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.31

Product Information

• Purity: 95%