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

C22H32N4O3 — CID 162477820

IUPAC4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESCOc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)c(C)cc1C(C)C
InChIInChI=1S/C22H32N4O3/c1-15(2)18-13-16(3)19(14-20(18)27-4)21-23-22(24-29-21)26-7-5-17(6-8-26)25-9-11-28-12-10-25/h13-15,17H,5-12H2,1-4H3
InChIKeyCRQXQBGRSHSUEH-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.48
Rot. Bonds5

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

4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (PubChem CID 162477820) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
PubChem CID162477820
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESCOc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)c(C)cc1C(C)C
InChIInChI=1S/C22H32N4O3/c1-15(2)18-13-16(3)19(14-20(18)27-4)21-23-22(24-29-21)26-7-5-17(6-8-26)25-9-11-28-12-10-25/h13-15,17H,5-12H2,1-4H3
InChIKeyCRQXQBGRSHSUEH-UHFFFAOYSA-N
XLogP3.48
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477851
4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 149228588
4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 163550170
5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 146552774
3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 146552480
5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 162486492
[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
CID 142939386
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
CID 86716713
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
4-[1-(8-methoxy-2-methylquinolin-4-yl)pyrrolidin-3-yl]morpholine
CID 133368215

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (CID 162477820) is 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is COc1cc(-c2nc(N3CCC(N4CCOCC4)CC3)no2)c(C)cc1C(C)C.
What is the InChIKey of 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The InChIKey is CRQXQBGRSHSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15(2)18-13-16(3)19(14-20(18)27-4)21-23-22(24-29-21)26-7-5-17(6-8-26)25-9-11-28-12-10-25/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine has a molecular weight of 400.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 162477820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).