5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole

C14H7ClF2N2O — CID 6459796

IUPAC5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESFc1cc(Cl)c(-c2nc(-c3ccccc3)no2)cc1F
InChIInChI=1S/C14H7ClF2N2O/c15-10-7-12(17)11(16)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H
InChIKeyXPSLGUFFBMQXAL-UHFFFAOYSA-N
MW292.67 g/mol
LogP4.34
Rot. Bonds2

About 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole

5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 6459796) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID6459796
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESFc1cc(Cl)c(-c2nc(-c3ccccc3)no2)cc1F
InChIInChI=1S/C14H7ClF2N2O/c15-10-7-12(17)11(16)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H
InChIKeyXPSLGUFFBMQXAL-UHFFFAOYSA-N
XLogP4.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 19324393
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
6-chloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 20904161
N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide
CID 143438229
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 71740242
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole (CID 6459796) is 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole is Fc1cc(Cl)c(-c2nc(-c3ccccc3)no2)cc1F.
What is the InChIKey of 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is XPSLGUFFBMQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-10-7-12(17)11(16)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole?
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 292.67 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 6459796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).