3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole

C15H11BrFNOS — CID 22316764

IUPAC3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole
SMILESCc1csc(-c2c(-c3ccc(Br)cc3)noc2C)c1F
InChIInChI=1S/C15H11BrFNOS/c1-8-7-20-15(13(8)17)12-9(2)19-18-14(12)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyGNNKIWDFZRLPBR-UHFFFAOYSA-N
MW352.23 g/mol
LogP5.59
Rot. Bonds2

About 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole

3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole (PubChem CID 22316764) has the molecular formula C15H11BrFNOS and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole
PubChem CID22316764
Molecular FormulaC15H11BrFNOS
Molecular Weight352.23 g/mol
Exact Mass350.97
IUPAC Name3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole
SMILESCc1csc(-c2c(-c3ccc(Br)cc3)noc2C)c1F
InChIInChI=1S/C15H11BrFNOS/c1-8-7-20-15(13(8)17)12-9(2)19-18-14(12)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyGNNKIWDFZRLPBR-UHFFFAOYSA-N
XLogP5.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.23
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-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 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole (CID 22316764) is 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole is Cc1csc(-c2c(-c3ccc(Br)cc3)noc2C)c1F.
What is the InChIKey of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole?
The InChIKey is GNNKIWDFZRLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNOS/c1-8-7-20-15(13(8)17)12-9(2)19-18-14(12)10-3-5-11(16)6-4-10/h3-7H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole?
3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole has a molecular weight of 352.23 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 22316764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).