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'}

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Related Compounds

5-(3-fluorophenyl)-4-methyl-1,3-oxazole
CID 67982828
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
CID 114873250
4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
CID 81479228
4-(bromomethyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 79153466
4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
CID 79757737
4-(bromomethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 79153908
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139421
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 162720433
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862

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).