5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C20H30N4O3 — CID 124753139

IUPAC5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN(Cc3cc(C4CCCCC4)no3)C2)n1
InChIInChI=1S/C20H30N4O3/c1-25-11-9-19-21-20(27-23-19)16-8-5-10-24(13-16)14-17-12-18(22-26-17)15-6-3-2-4-7-15/h12,15-16H,2-11,13-14H2,1H3/t16-/m1/s1
InChIKeyLIUPAGXFDUGXLE-MRXNPFEDSA-N
MW374.49 g/mol
LogP3.67
Rot. Bonds7

About 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 124753139) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID124753139
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN(Cc3cc(C4CCCCC4)no3)C2)n1
InChIInChI=1S/C20H30N4O3/c1-25-11-9-19-21-20(27-23-19)16-8-5-10-24(13-16)14-17-12-18(22-26-17)15-6-3-2-4-7-15/h12,15-16H,2-11,13-14H2,1H3/t16-/m1/s1
InChIKeyLIUPAGXFDUGXLE-MRXNPFEDSA-N
XLogP3.67
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 77080892
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327
3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95727245
1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 124753151
5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 97435860
3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95708917
2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91840830
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72877263

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 124753139) is 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc([C@@H]2CCCN(Cc3cc(C4CCCCC4)no3)C2)n1.
What is the InChIKey of 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is LIUPAGXFDUGXLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-25-11-9-19-21-20(27-23-19)16-8-5-10-24(13-16)14-17-12-18(22-26-17)15-6-3-2-4-7-15/h12,15-16H,2-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 374.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 124753139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).