3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C16H27N3O2 — CID 72934366

IUPAC3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)CC(Cc2nc(C3CCOC3)no2)CC(C)(C)N1
InChIInChI=1S/C16H27N3O2/c1-15(2)8-11(9-16(3,4)19-15)7-13-17-14(18-21-13)12-5-6-20-10-12/h11-12,19H,5-10H2,1-4H3
InChIKeyLUWIIYKJSHKPEQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.67
Rot. Bonds3

About 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72934366) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID72934366
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)CC(Cc2nc(C3CCOC3)no2)CC(C)(C)N1
InChIInChI=1S/C16H27N3O2/c1-15(2)8-11(9-16(3,4)19-15)7-13-17-14(18-21-13)12-5-6-20-10-12/h11-12,19H,5-10H2,1-4H3
InChIKeyLUWIIYKJSHKPEQ-UHFFFAOYSA-N
XLogP2.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483485
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129392990
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 72934366) is 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CC1(C)CC(Cc2nc(C3CCOC3)no2)CC(C)(C)N1.
What is the InChIKey of 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LUWIIYKJSHKPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2)8-11(9-16(3,4)19-15)7-13-17-14(18-21-13)12-5-6-20-10-12/h11-12,19H,5-10H2,1-4H3.
What are the key properties of 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).