5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole

C10H7BrFNO — CID 66696629

IUPAC5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1-c1ccc(Br)cc1F
InChIInChI=1S/C10H7BrFNO/c1-6-10(14-5-13-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3
InChIKeyVJHPKVZUFTXVOH-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.55
Rot. Bonds1

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

5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole (PubChem CID 66696629) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole
PubChem CID66696629
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1-c1ccc(Br)cc1F
InChIInChI=1S/C10H7BrFNO/c1-6-10(14-5-13-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3
InChIKeyVJHPKVZUFTXVOH-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

Analyze 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole (CID 66696629) is 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole is Cc1ncoc1-c1ccc(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole?
The InChIKey is VJHPKVZUFTXVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-6-10(14-5-13-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole?
5-(4-bromo-2-fluorophenyl)-4-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-(4-bromo-2-fluorophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 66696629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).