2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline

C13H6Cl4N2O — CID 107676133

IUPAC2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H6Cl4N2O/c14-5-1-7(11(18)8(16)2-5)13-19-10-4-6(15)3-9(17)12(10)20-13/h1-4H,18H2
InChIKeyVEXORDHKVSHELJ-UHFFFAOYSA-N
MW348.02 g/mol
LogP5.69
Rot. Bonds1

About 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline

2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline (PubChem CID 107676133) has the molecular formula C13H6Cl4N2O and a molecular weight of 348.02 g/mol. Its IUPAC name is 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
PubChem CID107676133
Molecular FormulaC13H6Cl4N2O
Molecular Weight348.02 g/mol
Exact Mass345.92
IUPAC Name2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C13H6Cl4N2O/c14-5-1-7(11(18)8(16)2-5)13-19-10-4-6(15)3-9(17)12(10)20-13/h1-4H,18H2
InChIKeyVEXORDHKVSHELJ-UHFFFAOYSA-N
XLogP5.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.02
LogP ≤ 55.69
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-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
CID 107676426
3-bromo-4-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 95910795
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
3-chloro-2-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676323
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 107051419
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
2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 95911073
7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
CID 82233186
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline (CID 107676133) is 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline is Nc1c(Cl)cc(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline?
The InChIKey is VEXORDHKVSHELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2O/c14-5-1-7(11(18)8(16)2-5)13-19-10-4-6(15)3-9(17)12(10)20-13/h1-4H,18H2.
What are the key properties of 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline?
2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline has a molecular weight of 348.02 g/mol, XLogP of 5.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 107676133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).