3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C13H9FN2O2S — CID 26566464

IUPAC3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1cccc(F)c1
InChIInChI=1S/C13H9FN2O2S/c14-10-4-1-3-9(7-10)8-16-13(17)18-12(15-16)11-5-2-6-19-11/h1-7H,8H2
InChIKeyVBPQUASIFKYHBD-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.75
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 26566464) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID26566464
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1cccc(F)c1
InChIInChI=1S/C13H9FN2O2S/c14-10-4-1-3-9(7-10)8-16-13(17)18-12(15-16)11-5-2-6-19-11/h1-7H,8H2
InChIKeyVBPQUASIFKYHBD-UHFFFAOYSA-N
XLogP2.75
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 26566464) is 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is VBPQUASIFKYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-10-4-1-3-9(7-10)8-16-13(17)18-12(15-16)11-5-2-6-19-11/h1-7H,8H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 276.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 26566464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).