3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one

C8H5ClN2O2 — CID 135451985

IUPAC3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChIKeyVCOUYYDZUXYFJX-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.68
Rot. Bonds1

About 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one

3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 135451985) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID135451985
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChIKeyVCOUYYDZUXYFJX-UHFFFAOYSA-N
XLogP1.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Phenyl-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135418577
3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 135480523
3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 135591017
3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 136160146
3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 136165594
5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 135482528
2-[3-(4-Chlorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile
CID 1435067
4-[3-(4-Chlorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]butanenitrile
CID 3228084
4-chloro-N'-[(cyclohexylcarbamoyl)oxy]benzenecarboximidamide
CID 9567376
3-(4-Methylphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135442560
3-[4-(chloromethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136641174
3-(3-Chloro-4-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135969140

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one (CID 135451985) is 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is VCOUYYDZUXYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12).
What are the key properties of 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one?
3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 196.59 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135451985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).