5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one

C12H10N2O3S — CID 75446474

IUPAC5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1CCc1cccs1
InChIInChI=1S/C12H10N2O3S/c15-12-14(6-5-9-3-2-8-18-9)13-11(17-12)10-4-1-7-16-10/h1-4,7-8H,5-6H2
InChIKeyFSPQKPVSQRYONH-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds4

About 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one (PubChem CID 75446474) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
PubChem CID75446474
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1CCc1cccs1
InChIInChI=1S/C12H10N2O3S/c15-12-14(6-5-9-3-2-8-18-9)13-11(17-12)10-4-1-7-16-10/h1-4,7-8H,5-6H2
InChIKeyFSPQKPVSQRYONH-UHFFFAOYSA-N
XLogP2.40
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one (CID 75446474) is 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccco2)nn1CCc1cccs1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is FSPQKPVSQRYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-12-14(6-5-9-3-2-8-18-9)13-11(17-12)10-4-1-7-16-10/h1-4,7-8H,5-6H2.
What are the key properties of 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 262.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75446474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).