3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole

C12H14N2O2S — CID 129380313

IUPAC3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1ccsc1)c1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(10-3-5-17-7-10)12-13-11(14-16-12)9-2-4-15-6-9/h3,5,7-9H,2,4,6H2,1H3/t8-,9+/m0/s1
InChIKeySZPUDSDEJVBECV-DTWKUNHWSA-N
MW250.32 g/mol
LogP2.79
Rot. Bonds3

About 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole

3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole (PubChem CID 129380313) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole
PubChem CID129380313
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1ccsc1)c1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(10-3-5-17-7-10)12-13-11(14-16-12)9-2-4-15-6-9/h3,5,7-9H,2,4,6H2,1H3/t8-,9+/m0/s1
InChIKeySZPUDSDEJVBECV-DTWKUNHWSA-N
XLogP2.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(oxolan-3-yl)-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
CID 119163367
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
CID 145282703
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129380278
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041
4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 65329235
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole (CID 129380313) is 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole is C[C@@H](c1ccsc1)c1nc([C@@H]2CCOC2)no1.
What is the InChIKey of 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole?
The InChIKey is SZPUDSDEJVBECV-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(10-3-5-17-7-10)12-13-11(14-16-12)9-2-4-15-6-9/h3,5,7-9H,2,4,6H2,1H3/t8-,9+/m0/s1.
What are the key properties of 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole?
3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole has a molecular weight of 250.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 129380313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).