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

C16H13ClN2O2 — CID 23661086

IUPAC1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyKGYXTOQMFQOFJE-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.58
Rot. Bonds2

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

1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 23661086) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID23661086
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKeyKGYXTOQMFQOFJE-UHFFFAOYSA-N
XLogP3.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.58
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-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 23661086) is 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccccc2)OC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is KGYXTOQMFQOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11(20)19-16(13-7-9-14(17)10-8-13)21-15(18-19)12-5-3-2-4-6-12/h2-10,16H,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 300.75 g/mol, XLogP of 3.58, 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-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 23661086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).