1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one

C9H7ClN2O2S — CID 115078709

IUPAC1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H7ClN2O2S/c1-5(13)4-8-11-9(14-12-8)6-2-3-7(10)15-6/h2-3H,4H2,1H3
InChIKeyFRNCTYGJVGVYSM-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.58
Rot. Bonds3

About 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one

1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one (PubChem CID 115078709) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
PubChem CID115078709
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H7ClN2O2S/c1-5(13)4-8-11-9(14-12-8)6-2-3-7(10)15-6/h2-3H,4H2,1H3
InChIKeyFRNCTYGJVGVYSM-UHFFFAOYSA-N
XLogP2.58
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079227
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078694
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 62278619
2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385100
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 62276141
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62472715
2,2,2-trifluoro-1-[5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 44562800
1-[5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867019

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one (CID 115078709) is 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one is CC(=O)Cc1noc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The InChIKey is FRNCTYGJVGVYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-5(13)4-8-11-9(14-12-8)6-2-3-7(10)15-6/h2-3H,4H2,1H3.
What are the key properties of 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one has a molecular weight of 242.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one is sourced from PubChem (CID 115078709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).