4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole

C12H11BrFNOS — CID 86781969

IUPAC4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CSCc1c(F)cccc1Br
InChIInChI=1S/C12H11BrFNOS/c1-8-12(15-7-16-8)6-17-5-9-10(13)3-2-4-11(9)14/h2-4,7H,5-6H2,1H3
InChIKeyVWLBAQIDXAWWEV-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.32
Rot. Bonds4

About 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole

4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole (PubChem CID 86781969) has the molecular formula C12H11BrFNOS and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole
PubChem CID86781969
Molecular FormulaC12H11BrFNOS
Molecular Weight316.19 g/mol
Exact Mass314.97
IUPAC Name4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CSCc1c(F)cccc1Br
InChIInChI=1S/C12H11BrFNOS/c1-8-12(15-7-16-8)6-17-5-9-10(13)3-2-4-11(9)14/h2-4,7H,5-6H2,1H3
InChIKeyVWLBAQIDXAWWEV-UHFFFAOYSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-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 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole (CID 86781969) is 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole is Cc1ocnc1CSCc1c(F)cccc1Br.
What is the InChIKey of 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole?
The InChIKey is VWLBAQIDXAWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-8-12(15-7-16-8)6-17-5-9-10(13)3-2-4-11(9)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole?
4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole has a molecular weight of 316.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 86781969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).