5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one

C12H8N2O2S — CID 90411585

IUPAC5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1-c1ccsc1
InChIInChI=1S/C12H8N2O2S/c15-12-14(10-6-7-17-8-10)13-11(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyLCFKIBLDIDLUSN-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.55
Rot. Bonds2

About 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one

5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one (PubChem CID 90411585) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one
PubChem CID90411585
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1-c1ccsc1
InChIInChI=1S/C12H8N2O2S/c15-12-14(10-6-7-17-8-10)13-11(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyLCFKIBLDIDLUSN-UHFFFAOYSA-N
XLogP2.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one (CID 90411585) is 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1-c1ccsc1.
What is the InChIKey of 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one?
The InChIKey is LCFKIBLDIDLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12-14(10-6-7-17-8-10)13-11(16-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one?
5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one has a molecular weight of 244.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-thiophen-3-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90411585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).