1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C18H12ClN3O2 — CID 40694289

IUPAC1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O2/c19-14-7-5-12(6-8-14)17(23)10-22-15-4-2-1-3-13(15)9-16(22)18-21-20-11-24-18/h1-9,11H,10H2
InChIKeyMHQFWATWJXYSJD-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 40694289) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID40694289
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1c(-c2nnco2)cc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O2/c19-14-7-5-12(6-8-14)17(23)10-22-15-4-2-1-3-13(15)9-16(22)18-21-20-11-24-18/h1-9,11H,10H2
InChIKeyMHQFWATWJXYSJD-UHFFFAOYSA-N
XLogP4.23
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 40694289) is 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is O=C(Cn1c(-c2nnco2)cc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is MHQFWATWJXYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-14-7-5-12(6-8-14)17(23)10-22-15-4-2-1-3-13(15)9-16(22)18-21-20-11-24-18/h1-9,11H,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 337.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 40694289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).