3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole

C15H23N5O3 — CID 95110628

IUPAC3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CCCCN2Cc2nc(CCOC)no2)n1
InChIInChI=1S/C15H23N5O3/c1-3-12-17-15(23-18-12)11-6-4-5-8-20(11)10-14-16-13(19-22-14)7-9-21-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyCLAKBSYYGGUUPJ-NSHDSACASA-N
MW321.38 g/mol
LogP1.93
Rot. Bonds7

About 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole

3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95110628) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID95110628
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CCCCN2Cc2nc(CCOC)no2)n1
InChIInChI=1S/C15H23N5O3/c1-3-12-17-15(23-18-12)11-6-4-5-8-20(11)10-14-16-13(19-22-14)7-9-21-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyCLAKBSYYGGUUPJ-NSHDSACASA-N
XLogP1.93
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110626
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
3-(2-methoxyethyl)-5-[[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129338552
3-(2-methoxyethyl)-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129344520
3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 46986407
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole (CID 95110628) is 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole is CCc1noc([C@@H]2CCCCN2Cc2nc(CCOC)no2)n1.
What is the InChIKey of 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is CLAKBSYYGGUUPJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O3/c1-3-12-17-15(23-18-12)11-6-4-5-8-20(11)10-14-16-13(19-22-14)7-9-21-2/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95110628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).