4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole

C14H8Br2FNO — CID 155325490

IUPAC4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole
SMILESCc1cc(Br)c2nc(-c3ccc(Br)cc3F)oc2c1
InChIInChI=1S/C14H8Br2FNO/c1-7-4-10(16)13-12(5-7)19-14(18-13)9-3-2-8(15)6-11(9)17/h2-6H,1H3
InChIKeyISSDXXVNTKOASO-UHFFFAOYSA-N
MW385.03 g/mol
LogP5.47
Rot. Bonds1

About 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole

4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole (PubChem CID 155325490) has the molecular formula C14H8Br2FNO and a molecular weight of 385.03 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole
PubChem CID155325490
Molecular FormulaC14H8Br2FNO
Molecular Weight385.03 g/mol
Exact Mass382.90
IUPAC Name4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole
SMILESCc1cc(Br)c2nc(-c3ccc(Br)cc3F)oc2c1
InChIInChI=1S/C14H8Br2FNO/c1-7-4-10(16)13-12(5-7)19-14(18-13)9-3-2-8(15)6-11(9)17/h2-6H,1H3
InChIKeyISSDXXVNTKOASO-UHFFFAOYSA-N
XLogP5.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.03
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole?
The IUPAC name of 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole (CID 155325490) is 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole?
The canonical SMILES for 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole is Cc1cc(Br)c2nc(-c3ccc(Br)cc3F)oc2c1.
What is the InChIKey of 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole?
The InChIKey is ISSDXXVNTKOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2FNO/c1-7-4-10(16)13-12(5-7)19-14(18-13)9-3-2-8(15)6-11(9)17/h2-6H,1H3.
What are the key properties of 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole?
4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole has a molecular weight of 385.03 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-2-fluorophenyl)-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 155325490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).