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

C13H8Cl2N2O — CID 81433223

IUPAC2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3ccc(Cl)cc3o2)cc1Cl
InChIInChI=1S/C13H8Cl2N2O/c14-8-2-4-11-12(6-8)18-13(17-11)7-1-3-10(16)9(15)5-7/h1-6H,16H2
InChIKeyFCHSMFREQJSDQV-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.38
Rot. Bonds1

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

2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline (PubChem CID 81433223) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
PubChem CID81433223
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3ccc(Cl)cc3o2)cc1Cl
InChIInChI=1S/C13H8Cl2N2O/c14-8-2-4-11-12(6-8)18-13(17-11)7-1-3-10(16)9(15)5-7/h1-6H,16H2
InChIKeyFCHSMFREQJSDQV-UHFFFAOYSA-N
XLogP4.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.38
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-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
3-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81434311
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
3-(6-chloro-1,3-benzoxazol-2-yl)-5-(trifluoromethyl)aniline
CID 81422207
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
CID 163234650
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline (CID 81433223) is 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline is Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1Cl.
What is the InChIKey of 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline?
The InChIKey is FCHSMFREQJSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-8-2-4-11-12(6-8)18-13(17-11)7-1-3-10(16)9(15)5-7/h1-6H,16H2.
What are the key properties of 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline?
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline has a molecular weight of 279.13 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 81433223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).