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

C13H7Cl2FN2O — CID 82720968

IUPAC5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-6-1-2-7(10(17)3-6)13-18-11-4-8(15)9(16)5-12(11)19-13/h1-5H,17H2
InChIKeyHFCLHEWUVAURAC-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.52
Rot. Bonds1

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

5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline (PubChem CID 82720968) has the molecular formula C13H7Cl2FN2O and a molecular weight of 297.12 g/mol. Its IUPAC name is 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
PubChem CID82720968
Molecular FormulaC13H7Cl2FN2O
Molecular Weight297.12 g/mol
Exact Mass295.99
IUPAC Name5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1cc(Cl)ccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-6-1-2-7(10(17)3-6)13-18-11-4-8(15)9(16)5-12(11)19-13/h1-5H,17H2
InChIKeyHFCLHEWUVAURAC-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 82720653
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-4,6-dimethylaniline
CID 82720137
2-(4-chloro-2,5-difluorophenyl)-1,3-benzoxazol-6-amine
CID 82771441
3-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81434311
4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82233187
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 28896820
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
CID 82719722
2-(4-amino-2-methylphenyl)-6-fluoro-1,3-benzoxazol-5-amine
CID 163612509
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63094638
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline (CID 82720968) is 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline is Nc1cc(Cl)ccc1-c1nc2cc(Cl)c(F)cc2o1.
What is the InChIKey of 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline?
The InChIKey is HFCLHEWUVAURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O/c14-6-1-2-7(10(17)3-6)13-18-11-4-8(15)9(16)5-12(11)19-13/h1-5H,17H2.
What are the key properties of 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline?
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline has a molecular weight of 297.12 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 82720968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).