5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine

C14H10Cl2N2O — CID 107096884

IUPAC5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
SMILESCc1c(Cl)cccc1-c1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C14H10Cl2N2O/c1-7-8(3-2-4-9(7)15)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,17H2,1H3
InChIKeyCABKXENZMWTYNP-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.69
Rot. Bonds1

About 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine

5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine (PubChem CID 107096884) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
PubChem CID107096884
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
SMILESCc1c(Cl)cccc1-c1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C14H10Cl2N2O/c1-7-8(3-2-4-9(7)15)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,17H2,1H3
InChIKeyCABKXENZMWTYNP-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.69
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

3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 81433215
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
CID 114820837
5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
CID 113331623
5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine
CID 103118215
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
CID 139389926
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82720968
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine (CID 107096884) is 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine is Cc1c(Cl)cccc1-c1nc2cc(Cl)c(N)cc2o1.
What is the InChIKey of 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine?
The InChIKey is CABKXENZMWTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-7-8(3-2-4-9(7)15)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,17H2,1H3.
What are the key properties of 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine?
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine has a molecular weight of 293.15 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 107096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).