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

C14H7ClFN3O3 — CID 30028780

IUPAC5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C14H7ClFN3O3/c15-11-6-5-8(19(20)21)7-10(11)14-17-13(18-22-14)9-3-1-2-4-12(9)16/h1-7H
InChIKeyQPBVQPJXEGAIGG-UHFFFAOYSA-N
MW319.68 g/mol
LogP4.10
Rot. Bonds3

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

5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 30028780) has the molecular formula C14H7ClFN3O3 and a molecular weight of 319.68 g/mol. Its IUPAC name is 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID30028780
Molecular FormulaC14H7ClFN3O3
Molecular Weight319.68 g/mol
Exact Mass319.02
IUPAC Name5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C14H7ClFN3O3/c15-11-6-5-8(19(20)21)7-10(11)14-17-13(18-22-14)9-3-1-2-4-12(9)16/h1-7H
InChIKeyQPBVQPJXEGAIGG-UHFFFAOYSA-N
XLogP4.10
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 54.10
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

4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 97057851
5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 15957010
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2044985
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119563
3-(2-fluorophenyl)-N-[2-[(4-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084303
3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895316
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
CID 8895310
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
CID 131866966
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole (CID 30028780) is 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1.
What is the InChIKey of 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QPBVQPJXEGAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN3O3/c15-11-6-5-8(19(20)21)7-10(11)14-17-13(18-22-14)9-3-1-2-4-12(9)16/h1-7H.
What are the key properties of 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 319.68 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30028780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).