4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one

C14H8Cl2N2O2 — CID 23723076

IUPAC4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2/c15-10-6-11(16)8-12(7-10)18-13(17-20-14(18)19)9-4-2-1-3-5-9/h1-8H
InChIKeyMUIQMJBUOZAZDS-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.80
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one

4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 23723076) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID23723076
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2/c15-10-6-11(16)8-12(7-10)18-13(17-20-14(18)19)9-4-2-1-3-5-9/h1-8H
InChIKeyMUIQMJBUOZAZDS-UHFFFAOYSA-N
XLogP3.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dichlorophenyl)-3-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one (CID 23723076) is 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is MUIQMJBUOZAZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-10-6-11(16)8-12(7-10)18-13(17-20-14(18)19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 307.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 23723076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).