2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone

C10H8ClNO2S — CID 164651090

IUPAC2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccsc2Cl)co1
InChIInChI=1S/C10H8ClNO2S/c1-6-12-8(5-14-6)9(13)4-7-2-3-15-10(7)11/h2-3,5H,4H2,1H3
InChIKeyWQOQIOCVTLKPKO-UHFFFAOYSA-N
MW241.70 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone

2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 164651090) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID164651090
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccsc2Cl)co1
InChIInChI=1S/C10H8ClNO2S/c1-6-12-8(5-14-6)9(13)4-7-2-3-15-10(7)11/h2-3,5H,4H2,1H3
InChIKeyWQOQIOCVTLKPKO-UHFFFAOYSA-N
XLogP3.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone (CID 164651090) is 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is Cc1nc(C(=O)Cc2ccsc2Cl)co1.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is WQOQIOCVTLKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-6-12-8(5-14-6)9(13)4-7-2-3-15-10(7)11/h2-3,5H,4H2,1H3.
What are the key properties of 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone?
2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 241.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)-1-(2-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 164651090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).