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

C15H9F4N3O2S — CID 138489880

IUPAC2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C15H9F4N3O2S/c16-11-6-8(12-21-14(24-22-12)15(17,18)19)3-4-10(11)13(23)20-7-9-2-1-5-25-9/h1-6H,7H2,(H,20,23)
InChIKeyKJRMRXMRSWXBTA-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.89
Rot. Bonds4

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

2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489880) has the molecular formula C15H9F4N3O2S and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489880
Molecular FormulaC15H9F4N3O2S
Molecular Weight371.32 g/mol
Exact Mass371.04
IUPAC Name2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C15H9F4N3O2S/c16-11-6-8(12-21-14(24-22-12)15(17,18)19)3-4-10(11)13(23)20-7-9-2-1-5-25-9/h1-6H,7H2,(H,20,23)
InChIKeyKJRMRXMRSWXBTA-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489880) is 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is KJRMRXMRSWXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2S/c16-11-6-8(12-21-14(24-22-12)15(17,18)19)3-4-10(11)13(23)20-7-9-2-1-5-25-9/h1-6H,7H2,(H,20,23).
What are the key properties of 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 371.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiophen-2-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).