2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole

C11H19N3OS — CID 66288839

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CSCC2CNC2)o1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)10-14-13-9(15-10)7-16-6-8-4-12-5-8/h8,12H,4-7H2,1-3H3
InChIKeyVIQSEYHHAIAIPL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.82
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole

2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole (PubChem CID 66288839) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole
PubChem CID66288839
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CSCC2CNC2)o1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)10-14-13-9(15-10)7-16-6-8-4-12-5-8/h8,12H,4-7H2,1-3H3
InChIKeyVIQSEYHHAIAIPL-UHFFFAOYSA-N
XLogP1.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole (CID 66288839) is 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole is CC(C)(C)c1nnc(CSCC2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole?
The InChIKey is VIQSEYHHAIAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)10-14-13-9(15-10)7-16-6-8-4-12-5-8/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole?
2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole has a molecular weight of 241.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-tert-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 66288839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).