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

C8H4ClN3O3 — CID 71563519

IUPAC2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nnco2)c1
InChIInChI=1S/C8H4ClN3O3/c9-7-2-1-5(12(13)14)3-6(7)8-11-10-4-15-8/h1-4H
InChIKeyMVYZQLOXXFVGGY-UHFFFAOYSA-N
MW225.59 g/mol
LogP2.30
Rot. Bonds2

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

2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 71563519) has the molecular formula C8H4ClN3O3 and a molecular weight of 225.59 g/mol. Its IUPAC name is 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole
PubChem CID71563519
Molecular FormulaC8H4ClN3O3
Molecular Weight225.59 g/mol
Exact Mass224.99
IUPAC Name2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2nnco2)c1
InChIInChI=1S/C8H4ClN3O3/c9-7-2-1-5(12(13)14)3-6(7)8-11-10-4-15-8/h1-4H
InChIKeyMVYZQLOXXFVGGY-UHFFFAOYSA-N
XLogP2.30
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 52.30
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

2-(2-chloro-5-nitrophenyl)furan
CID 15318128
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 71563503
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
sodium 5-(2-chloro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 139851838
2-(2-chloro-5-nitrophenyl)-5-(4-ethyl-5-methylthiophen-3-yl)-1,3,4-oxadiazole
CID 17349182
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazole-2-carbonitrile
CID 154210954
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529
(E)-1-(2-chloro-5-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6861205
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole (CID 71563519) is 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2nnco2)c1.
What is the InChIKey of 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is MVYZQLOXXFVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O3/c9-7-2-1-5(12(13)14)3-6(7)8-11-10-4-15-8/h1-4H.
What are the key properties of 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole?
2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 225.59 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71563519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).