1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H15ClN2O2 — CID 54578787

IUPAC1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3
InChIKeyGFNRBSHMAHVWGN-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.89
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 54578787) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID54578787
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3
InChIKeyGFNRBSHMAHVWGN-UHFFFAOYSA-N
XLogP3.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 54578787) is 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is GFNRBSHMAHVWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 314.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 54578787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).