5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine

C14H10Br2N2O — CID 104728890

IUPAC5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
SMILESCc1ccc(Br)cc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10Br2N2O/c1-7-2-3-8(15)4-10(7)14-18-12-6-9(16)5-11(17)13(12)19-14/h2-6H,17H2,1H3
InChIKeyYLZSWLWWLIYNRW-UHFFFAOYSA-N
MW382.06 g/mol
LogP4.91
Rot. Bonds1

About 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine

5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine (PubChem CID 104728890) has the molecular formula C14H10Br2N2O and a molecular weight of 382.06 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
PubChem CID104728890
Molecular FormulaC14H10Br2N2O
Molecular Weight382.06 g/mol
Exact Mass379.92
IUPAC Name5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
SMILESCc1ccc(Br)cc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10Br2N2O/c1-7-2-3-8(15)4-10(7)14-18-12-6-9(16)5-11(17)13(12)19-14/h2-6H,17H2,1H3
InChIKeyYLZSWLWWLIYNRW-UHFFFAOYSA-N
XLogP4.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine (CID 104728890) is 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine is Cc1ccc(Br)cc1-c1nc2cc(Br)cc(N)c2o1.
What is the InChIKey of 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine?
The InChIKey is YLZSWLWWLIYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O/c1-7-2-3-8(15)4-10(7)14-18-12-6-9(16)5-11(17)13(12)19-14/h2-6H,17H2,1H3.
What are the key properties of 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine?
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine has a molecular weight of 382.06 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 104728890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).