2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

C13H8F3N3OS — CID 22744069

IUPAC2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nnc(Cc2ccsc2)o1
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)10-1-3-17-6-9(10)12-19-18-11(20-12)5-8-2-4-21-7-8/h1-4,6-7H,5H2
InChIKeyZXXOCGLWXHPDOL-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.80
Rot. Bonds3

About 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 22744069) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID22744069
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nnc(Cc2ccsc2)o1
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)10-1-3-17-6-9(10)12-19-18-11(20-12)5-8-2-4-21-7-8/h1-4,6-7H,5H2
InChIKeyZXXOCGLWXHPDOL-UHFFFAOYSA-N
XLogP3.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 22744069) is 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1ccncc1-c1nnc(Cc2ccsc2)o1.
What is the InChIKey of 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ZXXOCGLWXHPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c14-13(15,16)10-1-3-17-6-9(10)12-19-18-11(20-12)5-8-2-4-21-7-8/h1-4,6-7H,5H2.
What are the key properties of 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 311.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22744069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).