3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole

C17H14F3N3OS — CID 71784301

IUPAC3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(CN2CC(c3nc(-c4ccsc4)no3)C2)c1
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)14-3-1-2-11(6-14)7-23-8-13(9-23)16-21-15(22-24-16)12-4-5-25-10-12/h1-6,10,13H,7-9H2
InChIKeyKMONJMCQOXCBGV-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.42
Rot. Bonds4

About 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole

3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole (PubChem CID 71784301) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole
PubChem CID71784301
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(CN2CC(c3nc(-c4ccsc4)no3)C2)c1
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)14-3-1-2-11(6-14)7-23-8-13(9-23)16-21-15(22-24-16)12-4-5-25-10-12/h1-6,10,13H,7-9H2
InChIKeyKMONJMCQOXCBGV-UHFFFAOYSA-N
XLogP4.42
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole (CID 71784301) is 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(CN2CC(c3nc(-c4ccsc4)no3)C2)c1.
What is the InChIKey of 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is KMONJMCQOXCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c18-17(19,20)14-3-1-2-11(6-14)7-23-8-13(9-23)16-21-15(22-24-16)12-4-5-25-10-12/h1-6,10,13H,7-9H2.
What are the key properties of 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole?
3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 365.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71784301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).