5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole

C10H7BrFNO — CID 166610249

IUPAC5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C10H7BrFNO/c1-6-13-5-10(14-6)8-4-7(12)2-3-9(8)11/h2-5H,1H3
InChIKeyGELXJHQKDFCBQP-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.55
Rot. Bonds1

About 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole

5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole (PubChem CID 166610249) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole
PubChem CID166610249
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C10H7BrFNO/c1-6-13-5-10(14-6)8-4-7(12)2-3-9(8)11/h2-5H,1H3
InChIKeyGELXJHQKDFCBQP-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole (CID 166610249) is 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole is Cc1ncc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole?
The InChIKey is GELXJHQKDFCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-6-13-5-10(14-6)8-4-7(12)2-3-9(8)11/h2-5H,1H3.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole?
5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole has a molecular weight of 256.07 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 166610249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).