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

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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).