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

C14H9ClN2O2 — CID 615151

IUPAC4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-7-4-8-12(9-11)17-13(16-19-14(17)18)10-5-2-1-3-6-10/h1-9H
InChIKeySVSVUNZRSYSRGD-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.15
Rot. Bonds2

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

4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 615151) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID615151
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-7-4-8-12(9-11)17-13(16-19-14(17)18)10-5-2-1-3-6-10/h1-9H
InChIKeySVSVUNZRSYSRGD-UHFFFAOYSA-N
XLogP3.15
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one (CID 615151) is 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is SVSVUNZRSYSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-7-4-8-12(9-11)17-13(16-19-14(17)18)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one?
4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 272.69 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 615151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).