4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline

C13H8ClFN2O — CID 82233187

IUPAC4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(F)c(Cl)cc3o2)cc1
InChIInChI=1S/C13H8ClFN2O/c14-9-5-12-11(6-10(9)15)17-13(18-12)7-1-3-8(16)4-2-7/h1-6H,16H2
InChIKeySBPSWLMVCHKMON-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.87
Rot. Bonds1

About 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline

4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline (PubChem CID 82233187) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
PubChem CID82233187
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(F)c(Cl)cc3o2)cc1
InChIInChI=1S/C13H8ClFN2O/c14-9-5-12-11(6-10(9)15)17-13(18-12)7-1-3-8(16)4-2-7/h1-6H,16H2
InChIKeySBPSWLMVCHKMON-UHFFFAOYSA-N
XLogP3.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline 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

4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-(4-chloro-2,5-difluorophenyl)-1,3-benzoxazol-6-amine
CID 82771441
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82720968
2,6-dichloro-5-fluoro-1,3-benzoxazole
CID 138692253
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)phenyl]methanamine
CID 82719724
4-(6-iodo-1,3-benzoxazol-2-yl)aniline
CID 143883357
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
4-(4,6-difluoro-1,3-benzoxazol-2-yl)aniline
CID 163367418
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
CID 82230184

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline (CID 82233187) is 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline is Nc1ccc(-c2nc3cc(F)c(Cl)cc3o2)cc1.
What is the InChIKey of 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The InChIKey is SBPSWLMVCHKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-9-5-12-11(6-10(9)15)17-13(18-12)7-1-3-8(16)4-2-7/h1-6H,16H2.
What are the key properties of 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline has a molecular weight of 262.67 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 82233187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).