3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole

C8H3ClFN3O3 — CID 112572090

IUPAC3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(F)cc1-c1nc(Cl)no1
InChIInChI=1S/C8H3ClFN3O3/c9-8-11-7(16-12-8)5-3-4(10)1-2-6(5)13(14)15/h1-3H
InChIKeyYDCJBOOVBNYBTP-UHFFFAOYSA-N
MW243.58 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole

3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole (PubChem CID 112572090) has the molecular formula C8H3ClFN3O3 and a molecular weight of 243.58 g/mol. Its IUPAC name is 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
PubChem CID112572090
Molecular FormulaC8H3ClFN3O3
Molecular Weight243.58 g/mol
Exact Mass242.98
IUPAC Name3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(F)cc1-c1nc(Cl)no1
InChIInChI=1S/C8H3ClFN3O3/c9-8-11-7(16-12-8)5-3-4(10)1-2-6(5)13(14)15/h1-3H
InChIKeyYDCJBOOVBNYBTP-UHFFFAOYSA-N
XLogP2.44
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.58
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
3-bromo-5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazole
CID 107122764
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
1-[5-(4-fluoro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660611
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole
CID 67270472
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
(E)-3-[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81258164
1-[5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107122762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole (CID 112572090) is 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(F)cc1-c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole?
The InChIKey is YDCJBOOVBNYBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O3/c9-8-11-7(16-12-8)5-3-4(10)1-2-6(5)13(14)15/h1-3H.
What are the key properties of 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole?
3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole has a molecular weight of 243.58 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).