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

C15H10F3N3O2S — CID 86264851

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H10F3N3O2S/c1-8-19-13(23-21-8)11-6-7-24-14(11)20-12(22)9-2-4-10(5-3-9)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyJYGYGQOMBMBZJS-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.38
Rot. Bonds3

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 86264851) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID86264851
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H10F3N3O2S/c1-8-19-13(23-21-8)11-6-7-24-14(11)20-12(22)9-2-4-10(5-3-9)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyJYGYGQOMBMBZJS-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide (CID 86264851) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide is Cc1noc(-c2ccsc2NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is JYGYGQOMBMBZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-8-19-13(23-21-8)11-6-7-24-14(11)20-12(22)9-2-4-10(5-3-9)15(16,17)18/h2-7H,1H3,(H,20,22).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 353.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86264851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).