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

C15H10F3N3O2S — CID 6624042

IUPAC2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-4-10(7-9)19-12(22)8-13-20-14(21-23-13)11-5-2-6-24-11/h1-7H,8H2,(H,19,22)
InChIKeyRRIHWQIUOFUZFH-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.00
Rot. Bonds4

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

2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 6624042) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID6624042
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-4-10(7-9)19-12(22)8-13-20-14(21-23-13)11-5-2-6-24-11/h1-7H,8H2,(H,19,22)
InChIKeyRRIHWQIUOFUZFH-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 6624042) is 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RRIHWQIUOFUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-4-10(7-9)19-12(22)8-13-20-14(21-23-13)11-5-2-6-24-11/h1-7H,8H2,(H,19,22).
What are the key properties of 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 6624042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).