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

C20H15ClN2O2 — CID 57395897

IUPAC1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2/c1-13(24)23-20(15-8-10-18(21)11-9-15)25-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,1H3
InChIKeyILYBXOLSEDUOAK-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.73
Rot. Bonds2

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

1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 57395897) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID57395897
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2/c1-13(24)23-20(15-8-10-18(21)11-9-15)25-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,1H3
InChIKeyILYBXOLSEDUOAK-UHFFFAOYSA-N
XLogP4.73
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.73
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-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 57395897) is 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc3ccccc3c2)OC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is ILYBXOLSEDUOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-13(24)23-20(15-8-10-18(21)11-9-15)25-19(22-23)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-chlorophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 350.81 g/mol, XLogP of 4.73, 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-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 57395897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).