2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine

C14H19N3O2S — CID 48633424

IUPAC2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCC1CN(Cc2nc(-c3ccsc3)no2)CC(C)(C)O1
InChIInChI=1S/C14H19N3O2S/c1-10-6-17(9-14(2,3)18-10)7-12-15-13(16-19-12)11-4-5-20-8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWUVRUTYSROPPAR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.80
Rot. Bonds3

About 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine

2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 48633424) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID48633424
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCC1CN(Cc2nc(-c3ccsc3)no2)CC(C)(C)O1
InChIInChI=1S/C14H19N3O2S/c1-10-6-17(9-14(2,3)18-10)7-12-15-13(16-19-12)11-4-5-20-8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWUVRUTYSROPPAR-UHFFFAOYSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine with MolForge

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Related Compounds

(6R)-2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586164
(6R)-2,2,6-trimethyl-4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586182
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
(3aS,6aR)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680489
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 48633424) is 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is CC1CN(Cc2nc(-c3ccsc3)no2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is WUVRUTYSROPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-6-17(9-14(2,3)18-10)7-12-15-13(16-19-12)11-4-5-20-8-11/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 293.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 48633424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).