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

C14H8F3N3O2S — CID 91814344

IUPAC2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C14H8F3N3O2S/c1-6-18-13(22-20-6)8-4-5-23-14(8)19-12(21)7-2-3-9(15)11(17)10(7)16/h2-5H,1H3,(H,19,21)
InChIKeyKRBPXBMKICCBJX-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.78
Rot. Bonds3

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

2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (PubChem CID 91814344) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
PubChem CID91814344
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C14H8F3N3O2S/c1-6-18-13(22-20-6)8-4-5-23-14(8)19-12(21)7-2-3-9(15)11(17)10(7)16/h2-5H,1H3,(H,19,21)
InChIKeyKRBPXBMKICCBJX-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (CID 91814344) is 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is Cc1noc(-c2ccsc2NC(=O)c2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The InChIKey is KRBPXBMKICCBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c1-6-18-13(22-20-6)8-4-5-23-14(8)19-12(21)7-2-3-9(15)11(17)10(7)16/h2-5H,1H3,(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide has a molecular weight of 339.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 91814344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).