4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole

C11H9BrFNO — CID 81479228

IUPAC4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2ocnc2CBr)c1F
InChIInChI=1S/C11H9BrFNO/c1-7-3-2-4-8(10(7)13)11-9(5-12)14-6-15-11/h2-4,6H,5H2,1H3
InChIKeyAORWROLGXWSTQP-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.68
Rot. Bonds2

About 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole

4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole (PubChem CID 81479228) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
PubChem CID81479228
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2ocnc2CBr)c1F
InChIInChI=1S/C11H9BrFNO/c1-7-3-2-4-8(10(7)13)11-9(5-12)14-6-15-11/h2-4,6H,5H2,1H3
InChIKeyAORWROLGXWSTQP-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

1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
CID 79757737
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 107984323
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
CID 79153356
5-(1-benzothiophen-3-yl)-4-(bromomethyl)-1,3-oxazole
CID 79153243
N-[[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81262930
4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
CID 103123681
4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole
CID 107967352
4-(bromomethyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 79153466

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole (CID 81479228) is 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole is Cc1cccc(-c2ocnc2CBr)c1F.
What is the InChIKey of 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole?
The InChIKey is AORWROLGXWSTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-7-3-2-4-8(10(7)13)11-9(5-12)14-6-15-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole?
4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-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 4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 81479228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).