5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole

C12H19N3OS — CID 79316568

IUPAC5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
SMILESC1CCC(SCc2noc(C3CNC3)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-2-4-10(5-3-1)17-8-11-14-12(16-15-11)9-6-13-7-9/h9-10,13H,1-8H2
InChIKeyZFBZIPTYYKJETN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds4

About 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 79316568) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID79316568
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
SMILESC1CCC(SCc2noc(C3CNC3)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-2-4-10(5-3-1)17-8-11-14-12(16-15-11)9-6-13-7-9/h9-10,13H,1-8H2
InChIKeyZFBZIPTYYKJETN-UHFFFAOYSA-N
XLogP2.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole (CID 79316568) is 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole is C1CCC(SCc2noc(C3CNC3)n2)CC1.
What is the InChIKey of 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZFBZIPTYYKJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-4-10(5-3-1)17-8-11-14-12(16-15-11)9-6-13-7-9/h9-10,13H,1-8H2.
What are the key properties of 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 253.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79316568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).