3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

C10H8N2O3S2 — CID 4650427

IUPAC3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H8N2O3S2/c13-9-7(3-4-14-9)17-10-12-11-8(15-10)6-2-1-5-16-6/h1-2,5,7H,3-4H2
InChIKeyACIDCWSURCBOAJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.21
Rot. Bonds3

About 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 4650427) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID4650427
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H8N2O3S2/c13-9-7(3-4-14-9)17-10-12-11-8(15-10)6-2-1-5-16-6/h1-2,5,7H,3-4H2
InChIKeyACIDCWSURCBOAJ-UHFFFAOYSA-N
XLogP2.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (CID 4650427) is 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is O=C1OCCC1Sc1nnc(-c2cccs2)o1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is ACIDCWSURCBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c13-9-7(3-4-14-9)17-10-12-11-8(15-10)6-2-1-5-16-6/h1-2,5,7H,3-4H2.
What are the key properties of 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 4650427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).