3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

C14H23N3O2 — CID 104912078

IUPAC3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOC1(c2noc([C@@H]3CCCNC3)n2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-18-14(7-3-2-4-8-14)13-16-12(19-17-13)11-6-5-9-15-10-11/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyQFTKGJBRGYVXRM-LLVKDONJSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds3

About 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104912078) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104912078
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOC1(c2noc([C@@H]3CCCNC3)n2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-18-14(7-3-2-4-8-14)13-16-12(19-17-13)11-6-5-9-15-10-11/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyQFTKGJBRGYVXRM-LLVKDONJSA-N
XLogP2.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104609675
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790
3-(1-methoxycyclopentyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 104609699

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104912078) is 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is COC1(c2noc([C@@H]3CCCNC3)n2)CCCCC1.
What is the InChIKey of 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is QFTKGJBRGYVXRM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-18-14(7-3-2-4-8-14)13-16-12(19-17-13)11-6-5-9-15-10-11/h11,15H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104912078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).