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

C8H5ClN4O3 — CID 43148001

IUPAC5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C8H5ClN4O3/c9-4-1-2-5(6(3-4)13(14)15)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyXKKJRRWUHVWCDO-UHFFFAOYSA-N
MW240.61 g/mol
LogP1.88
Rot. Bonds2

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

5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 43148001) has the molecular formula C8H5ClN4O3 and a molecular weight of 240.61 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID43148001
Molecular FormulaC8H5ClN4O3
Molecular Weight240.61 g/mol
Exact Mass240.01
IUPAC Name5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C8H5ClN4O3/c9-4-1-2-5(6(3-4)13(14)15)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyXKKJRRWUHVWCDO-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-oxadiazol-2-amine
CID 71563503
ethyl 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960762
2-[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044064
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
N-[2-[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62163638
1-[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62859116
2-[5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335484
5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556466
2-[5-(4-chloro-2-nitrophenyl)-2-methylfuran-3-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7464926
4-chloro-2-nitroaniline
CID 6979
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 43148001) is 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XKKJRRWUHVWCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O3/c9-4-1-2-5(6(3-4)13(14)15)7-11-12-8(10)16-7/h1-3H,(H2,10,12).
What are the key properties of 5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(4-chloro-2-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-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 43148001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).