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

C8H3Cl2N3O3 — CID 114770919

IUPAC2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(Cl)cc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C8H3Cl2N3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H
InChIKeyASKCOENPYQUDLP-UHFFFAOYSA-N
MW260.04 g/mol
LogP2.95
Rot. Bonds2

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

2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 114770919) has the molecular formula C8H3Cl2N3O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
PubChem CID114770919
Molecular FormulaC8H3Cl2N3O3
Molecular Weight260.04 g/mol
Exact Mass258.96
IUPAC Name2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(Cl)cc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C8H3Cl2N3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H
InChIKeyASKCOENPYQUDLP-UHFFFAOYSA-N
XLogP2.95
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.95
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'}

Analyze 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-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

2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
CID 114770827
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(3-chloro-5-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842442
4-[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]-N,N-diphenylaniline
CID 102044178
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
2-(3,5-dinitrophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
CID 102367576
2-(3-chlorophenyl)-5-[5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]-1,3,4-oxadiazole
CID 24789316
1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
CID 134623777
2-[5-(3-iodo-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1259930
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole (CID 114770919) is 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1cc(Cl)cc(-c2nnc(Cl)o2)c1.
What is the InChIKey of 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is ASKCOENPYQUDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O3/c9-5-1-4(2-6(3-5)13(14)15)7-11-12-8(10)16-7/h1-3H.
What are the key properties of 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 260.04 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).