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

C16H12F3N3O3S — CID 27298651

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)24-12-4-2-1-3-11(12)20-13(23)5-6-14-21-15(22-25-14)10-7-8-26-9-10/h1-4,7-9H,5-6H2,(H,20,23)
InChIKeyHTXPEZUSZLZFNQ-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.27
Rot. Bonds6

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

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 27298651) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID27298651
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)24-12-4-2-1-3-11(12)20-13(23)5-6-14-21-15(22-25-14)10-7-8-26-9-10/h1-4,7-9H,5-6H2,(H,20,23)
InChIKeyHTXPEZUSZLZFNQ-UHFFFAOYSA-N
XLogP4.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26708441
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119439388
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35204280
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
CID 30885633
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231604
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33391806
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 27298651) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is HTXPEZUSZLZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)24-12-4-2-1-3-11(12)20-13(23)5-6-14-21-15(22-25-14)10-7-8-26-9-10/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-[2-(trifluoromethoxy)phenyl]propanamide?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 383.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 27298651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).