[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone

C24H34N4O4 — CID 58002658

IUPAC[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCOCC(C)(C)c1noc(C2CC(c3ccc(C)c(C)c3)CN(C(=O)N3CC(O)C3)C2)n1
InChIInChI=1S/C24H34N4O4/c1-15-6-7-17(8-16(15)2)18-9-19(11-27(10-18)23(30)28-12-20(29)13-28)21-25-22(26-32-21)24(3,4)14-31-5/h6-8,18-20,29H,9-14H2,1-5H3
InChIKeySIMXIITWNZODIZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.98
Rot. Bonds5

About [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone

[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 58002658) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID58002658
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCOCC(C)(C)c1noc(C2CC(c3ccc(C)c(C)c3)CN(C(=O)N3CC(O)C3)C2)n1
InChIInChI=1S/C24H34N4O4/c1-15-6-7-17(8-16(15)2)18-9-19(11-27(10-18)23(30)28-12-20(29)13-28)21-25-22(26-32-21)24(3,4)14-31-5/h6-8,18-20,29H,9-14H2,1-5H3
InChIKeySIMXIITWNZODIZ-UHFFFAOYSA-N
XLogP2.98
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,4-dimethylphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58002259
1-[3-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 58002145
[3-(3,4-dimethylphenyl)-5-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 141241434
(3-hydroxyazetidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002213
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[3-methyl-4-(trifluoromethoxy)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58002657
1-[3-(3,4-dimethylphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 58002619
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
[3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58116518
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
CID 58116477
(1,1-dihydroxy-1,4-thiazinan-4-yl)-[3-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
CID 66890134
[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 67084237
[3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116520

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 58002658) is [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is COCC(C)(C)c1noc(C2CC(c3ccc(C)c(C)c3)CN(C(=O)N3CC(O)C3)C2)n1.
What is the InChIKey of [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is SIMXIITWNZODIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-15-6-7-17(8-16(15)2)18-9-19(11-27(10-18)23(30)28-12-20(29)13-28)21-25-22(26-32-21)24(3,4)14-31-5/h6-8,18-20,29H,9-14H2,1-5H3.
What are the key properties of [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
[3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 442.56 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-5-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 58002658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).