3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

C10H15N3O2S — CID 103971470

IUPAC3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CSC(c2nc(C3COCCN3)no2)C1
InChIInChI=1S/C10H15N3O2S/c1-2-8(16-5-1)10-12-9(13-15-10)7-6-14-4-3-11-7/h7-8,11H,1-6H2
InChIKeyJKMFUALCZAVWBP-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.30
Rot. Bonds2

About 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971470) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971470
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CSC(c2nc(C3COCCN3)no2)C1
InChIInChI=1S/C10H15N3O2S/c1-2-8(16-5-1)10-12-9(13-15-10)7-6-14-4-3-11-7/h7-8,11H,1-6H2
InChIKeyJKMFUALCZAVWBP-UHFFFAOYSA-N
XLogP1.30
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 102894769
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605

Frequently Asked Questions

What is the IUPAC name of 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971470) is 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is C1CSC(c2nc(C3COCCN3)no2)C1.
What is the InChIKey of 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is JKMFUALCZAVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-8(16-5-1)10-12-9(13-15-10)7-6-14-4-3-11-7/h7-8,11H,1-6H2.
What are the key properties of 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 241.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).