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

C11H9BrFNO — CID 114873250

IUPAC3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(CBr)noc1-c1cccc(F)c1
InChIInChI=1S/C11H9BrFNO/c1-7-10(6-12)14-15-11(7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3
InChIKeyVQXGDFSULKRFMD-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.68
Rot. Bonds2

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

3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole (PubChem CID 114873250) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
PubChem CID114873250
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(CBr)noc1-c1cccc(F)c1
InChIInChI=1S/C11H9BrFNO/c1-7-10(6-12)14-15-11(7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3
InChIKeyVQXGDFSULKRFMD-UHFFFAOYSA-N
XLogP3.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114873246
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
CID 79153356
5-(3-fluorophenyl)-4-methyl-1,3-oxazole
CID 67982828
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
CID 102974766
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 167823701

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole (CID 114873250) is 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole is Cc1c(CBr)noc1-c1cccc(F)c1.
What is the InChIKey of 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole?
The InChIKey is VQXGDFSULKRFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-7-10(6-12)14-15-11(7)8-3-2-4-9(13)5-8/h2-5H,6H2,1H3.
What are the key properties of 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole?
3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole has a molecular weight of 270.10 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 114873250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).