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

C11H19N3O — CID 94526415

IUPAC2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC[C@H](C)C2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-5-9(2)7-14/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJPTVCJDAJBUHQE-VIFPVBQESA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds3

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

2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 94526415) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID94526415
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC[C@H](C)C2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-5-9(2)7-14/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJPTVCJDAJBUHQE-VIFPVBQESA-N
XLogP1.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 51074717
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713
2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 75520623
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062546
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95896261
2-(3-methoxyphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110652797
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[(3R)-1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96571674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 94526415) is 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC[C@H](C)C2)o1.
What is the InChIKey of 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JPTVCJDAJBUHQE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-5-9(2)7-14/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 94526415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).