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

C14H9ClN2O2 — CID 13043244

IUPAC3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c15-11-8-6-10(7-9-11)13-16-19-14(18)17(13)12-4-2-1-3-5-12/h1-9H
InChIKeyBZQAUKUWEPLRFR-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.15
Rot. Bonds2

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

3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 13043244) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one
PubChem CID13043244
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c15-11-8-6-10(7-9-11)13-16-19-14(18)17(13)12-4-2-1-3-5-12/h1-9H
InChIKeyBZQAUKUWEPLRFR-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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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-
CID 621980
3-(4-Chloro-phenyl)-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-4H-[1,2,4]oxadiazol-5-one
CID 656224
1,2,4-Oxadiazol-5(4H)-one, 3-(3-trifluoromethylphenyl)-4-phenyl-
CID 621613
1,2,4-Oxadiazol-5(4H)-one, 4-(3-trifluoromethylphenyl)-3-phenyl-
CID 621801
4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-one
CID 23723076
3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 23723081
1,2,4-Oxadiazol-5(4H)-one, 3-(3-chlorophenyl)-4-phenyl-
CID 614993
1,2,4-Oxadiazol-5(4H)-one, 4-(3-chlorophenyl)-3-phenyl-
CID 615151
4-(4-Chloro-phenyl)-3-phenyl-1-oxa-2,4-diaza-spiro[4.6]undeca-2,6,8,10-tetraene
CID 14939286
3,4-Diphenyl-1,2,4-oxadiazol-5-one
CID 13043242
[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 2823842
[(Z)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 9584567

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one (CID 13043244) is 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is BZQAUKUWEPLRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-8-6-10(7-9-11)13-16-19-14(18)17(13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one?
3-(4-chlorophenyl)-4-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 3-(4-chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 13043244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).