2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline

C13H7Cl2FN2O — CID 107676426

IUPAC2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-6-4-8(15)12-10(5-6)18-13(19-12)7-2-1-3-9(16)11(7)17/h1-5H,17H2
InChIKeyZRKSICNAPFXIFK-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.52
Rot. Bonds1

About 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline

2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline (PubChem CID 107676426) has the molecular formula C13H7Cl2FN2O and a molecular weight of 297.12 g/mol. Its IUPAC name is 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
PubChem CID107676426
Molecular FormulaC13H7Cl2FN2O
Molecular Weight297.12 g/mol
Exact Mass295.99
IUPAC Name2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-6-4-8(15)12-10(5-6)18-13(19-12)7-2-1-3-9(16)11(7)17/h1-5H,17H2
InChIKeyZRKSICNAPFXIFK-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

2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676133
2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 107051419
3-chloro-2-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676323
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
CID 82233118
3-bromo-4-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 95910795
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
4-chloro-N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 23931543
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline?
The IUPAC name of 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline (CID 107676426) is 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline?
The canonical SMILES for 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline is Nc1c(F)cccc1-c1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline?
The InChIKey is ZRKSICNAPFXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O/c14-6-4-8(15)12-10(5-6)18-13(19-12)7-2-1-3-9(16)11(7)17/h1-5H,17H2.
What are the key properties of 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline?
2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline 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 2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline is sourced from PubChem (CID 107676426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).