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

C15H10F3N3O2S — CID 42110007

IUPACN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-4-1-3-9(7-10)13(22)19-14-21-20-12(23-14)8-11-5-2-6-24-11/h1-7H,8H2,(H,19,21,22)
InChIKeyUPPODUGQDFYCIX-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.99
Rot. Bonds4

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

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 42110007) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID42110007
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-4-1-3-9(7-10)13(22)19-14-21-20-12(23-14)8-11-5-2-6-24-11/h1-7H,8H2,(H,19,21,22)
InChIKeyUPPODUGQDFYCIX-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 42110007) is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(Cc2cccs2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is UPPODUGQDFYCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)10-4-1-3-9(7-10)13(22)19-14-21-20-12(23-14)8-11-5-2-6-24-11/h1-7H,8H2,(H,19,21,22).
What are the key properties of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 353.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42110007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).