3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole

C8H8BrNOS — CID 91403844

IUPAC3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc(Br)s2)=NO1
InChIInChI=1S/C8H8BrNOS/c1-5-4-6(10-11-5)7-2-3-8(9)12-7/h2-3,5H,4H2,1H3
InChIKeyKVHPEMLLLZWCMN-UHFFFAOYSA-N
MW246.13 g/mol
LogP3.02
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole

3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 91403844) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID91403844
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccc(Br)s2)=NO1
InChIInChI=1S/C8H8BrNOS/c1-5-4-6(10-11-5)7-2-3-8(9)12-7/h2-3,5H,4H2,1H3
InChIKeyKVHPEMLLLZWCMN-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-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-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 91403844) is 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(c2ccc(Br)s2)=NO1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is KVHPEMLLLZWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c1-5-4-6(10-11-5)7-2-3-8(9)12-7/h2-3,5H,4H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 246.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91403844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).