4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine

C19H26N4O3 — CID 133322362

IUPAC4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
SMILESCOc1cccc(-c2noc(N3CCCC(CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C19H26N4O3/c1-24-17-6-2-5-16(12-17)18-20-19(26-21-18)23-7-3-4-15(14-23)13-22-8-10-25-11-9-22/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3
InChIKeyFYUUKFSDOPPRAU-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.29
Rot. Bonds5

About 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine

4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine (PubChem CID 133322362) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
PubChem CID133322362
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
SMILESCOc1cccc(-c2noc(N3CCCC(CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C19H26N4O3/c1-24-17-6-2-5-16(12-17)18-20-19(26-21-18)23-7-3-4-15(14-23)13-22-8-10-25-11-9-22/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3
InChIKeyFYUUKFSDOPPRAU-UHFFFAOYSA-N
XLogP2.29
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398
(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 95974531
3-(3-methoxyphenyl)-5-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 133345649
5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 75422616
3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 99695591
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 133330879
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine (CID 133322362) is 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine is COc1cccc(-c2noc(N3CCCC(CN4CCOCC4)C3)n2)c1.
What is the InChIKey of 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine?
The InChIKey is FYUUKFSDOPPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-24-17-6-2-5-16(12-17)18-20-19(26-21-18)23-7-3-4-15(14-23)13-22-8-10-25-11-9-22/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3.
What are the key properties of 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine?
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine has a molecular weight of 358.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 133322362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).