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

C19H19ClN2O2 — CID 53019707

IUPAC1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2Cl)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)19-22(13(3)23)21-18(24-19)16-6-4-5-7-17(16)20/h4-12,19H,1-3H3
InChIKeyDGWPJEUXLLRABN-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.70
Rot. Bonds3

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

1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 53019707) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID53019707
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2Cl)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)19-22(13(3)23)21-18(24-19)16-6-4-5-7-17(16)20/h4-12,19H,1-3H3
InChIKeyDGWPJEUXLLRABN-UHFFFAOYSA-N
XLogP4.70
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 53019707) is 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccccc2Cl)OC1c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is DGWPJEUXLLRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)19-22(13(3)23)21-18(24-19)16-6-4-5-7-17(16)20/h4-12,19H,1-3H3.
What are the key properties of 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 342.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 53019707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).