5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

C10H10N2O2S — CID 45208254

IUPAC5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCO3)n2)cs1
InChIInChI=1S/C10H10N2O2S/c1-2-8(13-4-1)10-11-9(12-14-10)7-3-5-15-6-7/h3,5-6,8H,1-2,4H2
InChIKeyIOTPZZNTZZPLKQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.65
Rot. Bonds2

About 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 45208254) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID45208254
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCO3)n2)cs1
InChIInChI=1S/C10H10N2O2S/c1-2-8(13-4-1)10-11-9(12-14-10)7-3-5-15-6-7/h3,5-6,8H,1-2,4H2
InChIKeyIOTPZZNTZZPLKQ-UHFFFAOYSA-N
XLogP2.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 95123922
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-oxaspiro[4.4]nonan-2-one
CID 45200277
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097392
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 99964177

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 45208254) is 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCCO3)n2)cs1.
What is the InChIKey of 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is IOTPZZNTZZPLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-8(13-4-1)10-11-9(12-14-10)7-3-5-15-6-7/h3,5-6,8H,1-2,4H2.
What are the key properties of 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 222.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 45208254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).