3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C13H8FN3O2S — CID 5080802

IUPAC3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1
InChIInChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(19-13)10-5-2-6-20-10/h1-7H,(H,15,17,18)
InChIKeyHBSMPRMMMVMSHF-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds3

About 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 5080802) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID5080802
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1
InChIInChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(19-13)10-5-2-6-20-10/h1-7H,(H,15,17,18)
InChIKeyHBSMPRMMMVMSHF-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 5080802) is 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is HBSMPRMMMVMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)11(18)15-13-17-16-12(19-13)10-5-2-6-20-10/h1-7H,(H,15,17,18).
What are the key properties of 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 289.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 5080802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).