2,5-dichloro-7-nitro-1,3-benzoxazole

C7H2Cl2N2O3 — CID 137332747

IUPAC2,5-dichloro-7-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1cc(Cl)cc2nc(Cl)oc12
InChIInChI=1S/C7H2Cl2N2O3/c8-3-1-4-6(14-7(9)10-4)5(2-3)11(12)13/h1-2H
InChIKeyLEIXBBVKUKMZML-UHFFFAOYSA-N
MW233.01 g/mol
LogP3.04
Rot. Bonds1

About 2,5-dichloro-7-nitro-1,3-benzoxazole

2,5-dichloro-7-nitro-1,3-benzoxazole (PubChem CID 137332747) has the molecular formula C7H2Cl2N2O3 and a molecular weight of 233.01 g/mol. Its IUPAC name is 2,5-dichloro-7-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name2,5-dichloro-7-nitro-1,3-benzoxazole
PubChem CID137332747
Molecular FormulaC7H2Cl2N2O3
Molecular Weight233.01 g/mol
Exact Mass231.94
IUPAC Name2,5-dichloro-7-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1cc(Cl)cc2nc(Cl)oc12
InChIInChI=1S/C7H2Cl2N2O3/c8-3-1-4-6(14-7(9)10-4)5(2-3)11(12)13/h1-2H
InChIKeyLEIXBBVKUKMZML-UHFFFAOYSA-N
XLogP3.04
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-7-nitro-1,3-benzoxazol-2-yl)methanamine
CID 137332751
5-chloro-2-methyl-7-nitro-1-benzofuran
CID 70200690
4-chloro-2,6-dinitrophenolate
CID 36690453
2-ethyl-5,7-dinitro-1,3-benzoxazole
CID 154087764
4-chloro-2,6-dinitrobenzenesulfonic acid
CID 3510155
3-(1,3-benzothiazol-2-yl)-6-chloro-8-nitrochromen-2-imine
CID 5209791
7-butyl-2-chloro-4-nitro-1,3-benzoxazole
CID 18966866
6-chloro-2-(4-methyl-3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337729
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 1072986
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
2-(4-chloro-2,6-dinitrophenyl)acetaldehyde
CID 24729323

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-7-nitro-1,3-benzoxazole?
The IUPAC name of 2,5-dichloro-7-nitro-1,3-benzoxazole (CID 137332747) is 2,5-dichloro-7-nitro-1,3-benzoxazole.
What is the SMILES notation for 2,5-dichloro-7-nitro-1,3-benzoxazole?
The canonical SMILES for 2,5-dichloro-7-nitro-1,3-benzoxazole is O=[N+]([O-])c1cc(Cl)cc2nc(Cl)oc12.
What is the InChIKey of 2,5-dichloro-7-nitro-1,3-benzoxazole?
The InChIKey is LEIXBBVKUKMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2O3/c8-3-1-4-6(14-7(9)10-4)5(2-3)11(12)13/h1-2H.
What are the key properties of 2,5-dichloro-7-nitro-1,3-benzoxazole?
2,5-dichloro-7-nitro-1,3-benzoxazole has a molecular weight of 233.01 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-7-nitro-1,3-benzoxazole is sourced from PubChem (CID 137332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).