5,7-dibromo-2-methyl-1,3-benzoxazole

C8H5Br2NO — CID 673195

IUPAC5,7-dibromo-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C8H5Br2NO/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3
InChIKeyKKTUAQTWGVJNKM-UHFFFAOYSA-N
MW290.94 g/mol
LogP3.66
Rot. Bonds

About 5,7-dibromo-2-methyl-1,3-benzoxazole

5,7-dibromo-2-methyl-1,3-benzoxazole (PubChem CID 673195) has the molecular formula C8H5Br2NO and a molecular weight of 290.94 g/mol. Its IUPAC name is 5,7-dibromo-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dibromo-2-methyl-1,3-benzoxazole
PubChem CID673195
Molecular FormulaC8H5Br2NO
Molecular Weight290.94 g/mol
Exact Mass288.87
IUPAC Name5,7-dibromo-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C8H5Br2NO/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3
InChIKeyKKTUAQTWGVJNKM-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.94
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2-methyl-1,3-benzoxazole?
The IUPAC name of 5,7-dibromo-2-methyl-1,3-benzoxazole (CID 673195) is 5,7-dibromo-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5,7-dibromo-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5,7-dibromo-2-methyl-1,3-benzoxazole is Cc1nc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 5,7-dibromo-2-methyl-1,3-benzoxazole?
The InChIKey is KKTUAQTWGVJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3.
What are the key properties of 5,7-dibromo-2-methyl-1,3-benzoxazole?
5,7-dibromo-2-methyl-1,3-benzoxazole has a molecular weight of 290.94 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 673195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).