(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine

C7H5ClFN3O — CID 82230184

IUPAC(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
SMILESNNc1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C7H5ClFN3O/c8-3-1-6-5(2-4(3)9)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
InChIKeyYLFQBQZMNQEFEB-UHFFFAOYSA-N
MW201.59 g/mol
LogP1.91
Rot. Bonds1

About (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine

(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine (PubChem CID 82230184) has the molecular formula C7H5ClFN3O and a molecular weight of 201.59 g/mol. Its IUPAC name is (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
PubChem CID82230184
Molecular FormulaC7H5ClFN3O
Molecular Weight201.59 g/mol
Exact Mass201.01
IUPAC Name(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
SMILESNNc1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C7H5ClFN3O/c8-3-1-6-5(2-4(3)9)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
InChIKeyYLFQBQZMNQEFEB-UHFFFAOYSA-N
XLogP1.91
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.59
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine 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

2,6-dichloro-5-fluoro-1,3-benzoxazole
CID 138692253
4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82233187
6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
CID 82231943
2-N-(4-chloro-3-fluorophenyl)-1,3-benzoxazole-2,5-diamine
CID 79890419
6-chloro-5-fluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82232681
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 82720653
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 82720658
N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine
CID 169001743
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 82719835
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 82720964
5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 139785868

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine?
The IUPAC name of (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine (CID 82230184) is (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine.
What is the SMILES notation for (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine?
The canonical SMILES for (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine is NNc1nc2cc(F)c(Cl)cc2o1.
What is the InChIKey of (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine?
The InChIKey is YLFQBQZMNQEFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3O/c8-3-1-6-5(2-4(3)9)11-7(12-10)13-6/h1-2H,10H2,(H,11,12).
What are the key properties of (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine?
(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine has a molecular weight of 201.59 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine is sourced from PubChem (CID 82230184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).