5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole

C15H8ClF2N3O4 — CID 97057851

IUPAC5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1
InChIInChI=1S/C15H8ClF2N3O4/c16-12-6-3-9(21(22)23)7-11(12)14-19-13(20-25-14)8-1-4-10(5-2-8)24-15(17)18/h1-7,15H
InChIKeySBOVEHFHZMOKRE-UHFFFAOYSA-N
MW367.70 g/mol
LogP4.57
Rot. Bonds5

About 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 97057851) has the molecular formula C15H8ClF2N3O4 and a molecular weight of 367.70 g/mol. Its IUPAC name is 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID97057851
Molecular FormulaC15H8ClF2N3O4
Molecular Weight367.70 g/mol
Exact Mass367.02
IUPAC Name5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1
InChIInChI=1S/C15H8ClF2N3O4/c16-12-6-3-9(21(22)23)7-11(12)14-19-13(20-25-14)8-1-4-10(5-2-8)24-15(17)18/h1-7,15H
InChIKeySBOVEHFHZMOKRE-UHFFFAOYSA-N
XLogP4.57
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 15957010
3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895316
5-(2-chloro-4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 886062
2,4-dichloro-5-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl chloride
CID 19330764
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 24682191
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
3-(4-bromophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895320
5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
CID 8895310
5-(4-nitrophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 25254807
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-nitroisoindole-1,3-dione
CID 30552344

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 97057851) is 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1.
What is the InChIKey of 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is SBOVEHFHZMOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O4/c16-12-6-3-9(21(22)23)7-11(12)14-19-13(20-25-14)8-1-4-10(5-2-8)24-15(17)18/h1-7,15H.
What are the key properties of 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 367.70 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-nitrophenyl)-3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97057851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).