5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine

C8H5ClN4O3 — CID 71563503

IUPAC5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C8H5ClN4O3/c9-6-3-4(13(14)15)1-2-5(6)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyNQJHXDWFVYNYAJ-UHFFFAOYSA-N
MW240.61 g/mol
LogP1.88
Rot. Bonds2

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

5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 71563503) has the molecular formula C8H5ClN4O3 and a molecular weight of 240.61 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID71563503
Molecular FormulaC8H5ClN4O3
Molecular Weight240.61 g/mol
Exact Mass240.01
IUPAC Name5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C8H5ClN4O3/c9-6-3-4(13(14)15)1-2-5(6)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyNQJHXDWFVYNYAJ-UHFFFAOYSA-N
XLogP1.88
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 51.88
H-Bond Donors ≤ 51
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'}

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Related Compounds

5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazole-2-carbonitrile
CID 154210954
5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 43148001
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529
5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 65461215
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
(Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 799260
2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
CID 175916041
2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 71563519
3-[5-(2-fluoro-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55035144
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 71563503) is 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NQJHXDWFVYNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O3/c9-6-3-4(13(14)15)1-2-5(6)7-11-12-8(10)16-7/h1-3H,(H2,10,12).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.61 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 71563503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).