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

C10H14N2O2S — CID 130642311

IUPAC1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2(C)CCCS2)no1
InChIInChI=1S/C10H14N2O2S/c1-7(13)6-8-11-9(12-14-8)10(2)4-3-5-15-10/h3-6H2,1-2H3
InChIKeyIJDNICDHRBFAIR-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.94
Rot. Bonds3

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

1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 130642311) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID130642311
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2(C)CCCS2)no1
InChIInChI=1S/C10H14N2O2S/c1-7(13)6-8-11-9(12-14-8)10(2)4-3-5-15-10/h3-6H2,1-2H3
InChIKeyIJDNICDHRBFAIR-UHFFFAOYSA-N
XLogP1.94
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 165342382
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 81450171
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681115
methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744165
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
1-[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080452
1-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115388973
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115027752
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
CID 130664354

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 130642311) is 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(=O)Cc1nc(C2(C)CCCS2)no1.
What is the InChIKey of 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is IJDNICDHRBFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(13)6-8-11-9(12-14-8)10(2)4-3-5-15-10/h3-6H2,1-2H3.
What are the key properties of 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 226.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 130642311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).