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

C20H26N4O3 — CID 163550170

IUPAC4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESC=Cc1ccc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-3-15-4-5-16(14-18(15)25-2)19-21-20(22-27-19)24-8-6-17(7-9-24)23-10-12-26-13-11-23/h3-5,14,17H,1,6-13H2,2H3
InChIKeyFIKCUHSTJNFFAV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.69
Rot. Bonds5

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

4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (PubChem CID 163550170) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
PubChem CID163550170
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESC=Cc1ccc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-3-15-4-5-16(14-18(15)25-2)19-21-20(22-27-19)24-8-6-17(7-9-24)23-10-12-26-13-11-23/h3-5,14,17H,1,6-13H2,2H3
InChIKeyFIKCUHSTJNFFAV-UHFFFAOYSA-N
XLogP2.69
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 149228588
4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477820
4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477851
2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807492
4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
CID 86716713
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
CID 142939386
5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 146552774
4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807505
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[5-ethenyl-2-methoxy-4-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 155240181
3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 146552480

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (CID 163550170) is 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is C=Cc1ccc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)cc1OC.
What is the InChIKey of 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The InChIKey is FIKCUHSTJNFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-15-4-5-16(14-18(15)25-2)19-21-20(22-27-19)24-8-6-17(7-9-24)23-10-12-26-13-11-23/h3-5,14,17H,1,6-13H2,2H3.
What are the key properties of 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine has a molecular weight of 370.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 163550170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).