3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C14H25N3O2 — CID 104912074

IUPAC3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)11-8-7-9-15-10-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyOGHSIECKNCEULH-NSHDSACASA-N
MW267.37 g/mol
LogP2.59
Rot. Bonds6

About 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104912074) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104912074
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(CC)(CC)c1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)11-8-7-9-15-10-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyOGHSIECKNCEULH-NSHDSACASA-N
XLogP2.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872
cis-(1S,3R)-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323602
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436719
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104912074) is 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is CCOC(CC)(CC)c1noc([C@H]2CCCNC2)n1.
What is the InChIKey of 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is OGHSIECKNCEULH-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)11-8-7-9-15-10-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104912074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).