N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C13H8FN3O2S — CID 43971757

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccs1
InChIInChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)12-16-17-13(19-12)15-11(18)10-5-2-6-20-10/h1-7H,(H,15,17,18)
InChIKeyDXLSSIMXVCAODD-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds3

About N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 43971757) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID43971757
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccs1
InChIInChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)12-16-17-13(19-12)15-11(18)10-5-2-6-20-10/h1-7H,(H,15,17,18)
InChIKeyDXLSSIMXVCAODD-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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Related Compounds

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 6852040
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 41226876
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 43971912
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43971985

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 43971757) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccs1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is DXLSSIMXVCAODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-4-1-3-8(7-9)12-16-17-13(19-12)15-11(18)10-5-2-6-20-10/h1-7H,(H,15,17,18).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide 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 N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43971757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).