3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

C16H12F3N3O2S — CID 26689827

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-1-3-12(4-2-11)20-13(23)5-6-14-21-15(22-24-14)10-7-8-25-9-10/h1-4,7-9H,5-6H2,(H,20,23)
InChIKeyZULDBUSOBKXSBG-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.39
Rot. Bonds5

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 26689827) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID26689827
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-1-3-12(4-2-11)20-13(23)5-6-14-21-15(22-24-14)10-7-8-25-9-10/h1-4,7-9H,5-6H2,(H,20,23)
InChIKeyZULDBUSOBKXSBG-UHFFFAOYSA-N
XLogP4.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 26689827) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZULDBUSOBKXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-1-3-12(4-2-11)20-13(23)5-6-14-21-15(22-24-14)10-7-8-25-9-10/h1-4,7-9H,5-6H2,(H,20,23).
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 367.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26689827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).