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

C10H7BrFNO — CID 79153356

IUPAC4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2ocnc2CBr)c1
InChIInChI=1S/C10H7BrFNO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyPBBPZCOXWBALGV-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.38
Rot. Bonds2

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

4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole (PubChem CID 79153356) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
PubChem CID79153356
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2ocnc2CBr)c1
InChIInChI=1S/C10H7BrFNO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyPBBPZCOXWBALGV-UHFFFAOYSA-N
XLogP3.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-(3-fluorophenyl)-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 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole (CID 79153356) is 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole is Fc1cccc(-c2ocnc2CBr)c1.
What is the InChIKey of 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is PBBPZCOXWBALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2.
What are the key properties of 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole?
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 256.07 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 79153356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).