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

C9H10BrNOS — CID 89272385

IUPAC3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(Br)s2)=NO1
InChIInChI=1S/C9H10BrNOS/c1-2-6-5-7(11-12-6)8-3-4-9(10)13-8/h3-4,6H,2,5H2,1H3
InChIKeyUXGWNIAGDAPTOB-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.41
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 89272385) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID89272385
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(Br)s2)=NO1
InChIInChI=1S/C9H10BrNOS/c1-2-6-5-7(11-12-6)8-3-4-9(10)13-8/h3-4,6H,2,5H2,1H3
InChIKeyUXGWNIAGDAPTOB-UHFFFAOYSA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole (CID 89272385) is 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole is CCC1CC(c2ccc(Br)s2)=NO1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UXGWNIAGDAPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-2-6-5-7(11-12-6)8-3-4-9(10)13-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole?
3-(5-bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 260.16 g/mol, XLogP of 3.41, 2 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-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89272385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).