2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole

C12H12BrNO — CID 102974636

IUPAC2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2coc(Br)n2)cc1C
InChIInChI=1S/C12H12BrNO/c1-7-4-9(3)10(5-8(7)2)11-6-15-12(13)14-11/h4-6H,1-3H3
InChIKeyXCOWWERCHYXHNI-UHFFFAOYSA-N
MW266.14 g/mol
LogP4.03
Rot. Bonds1

About 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole

2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole (PubChem CID 102974636) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole
PubChem CID102974636
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2coc(Br)n2)cc1C
InChIInChI=1S/C12H12BrNO/c1-7-4-9(3)10(5-8(7)2)11-6-15-12(13)14-11/h4-6H,1-3H3
InChIKeyXCOWWERCHYXHNI-UHFFFAOYSA-N
XLogP4.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole?
The IUPAC name of 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole (CID 102974636) is 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole is Cc1cc(C)c(-c2coc(Br)n2)cc1C.
What is the InChIKey of 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole?
The InChIKey is XCOWWERCHYXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-7-4-9(3)10(5-8(7)2)11-6-15-12(13)14-11/h4-6H,1-3H3.
What are the key properties of 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole?
2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole has a molecular weight of 266.14 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4,5-trimethylphenyl)-1,3-oxazole is sourced from PubChem (CID 102974636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).