2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C26H34N4O3 — CID 175382663

IUPAC2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCN1CC(C)(C(O)(c2ccc(C(C)C)cc2)c2cncc(-c3noc(C(C)(C)O)n3)c2)C1
InChIInChI=1S/C26H34N4O3/c1-7-30-15-25(6,16-30)26(32,20-10-8-18(9-11-20)17(2)3)21-12-19(13-27-14-21)22-28-23(33-29-22)24(4,5)31/h8-14,17,31-32H,7,15-16H2,1-6H3
InChIKeyFEPQRUAGNFGHIA-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.06
Rot. Bonds7

About 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 175382663) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID175382663
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCN1CC(C)(C(O)(c2ccc(C(C)C)cc2)c2cncc(-c3noc(C(C)(C)O)n3)c2)C1
InChIInChI=1S/C26H34N4O3/c1-7-30-15-25(6,16-30)26(32,20-10-8-18(9-11-20)17(2)3)21-12-19(13-27-14-21)22-28-23(33-29-22)24(4,5)31/h8-14,17,31-32H,7,15-16H2,1-6H3
InChIKeyFEPQRUAGNFGHIA-UHFFFAOYSA-N
XLogP4.06
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol 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

2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 157026581
2-[3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-prop-1-en-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 175382838
1-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 175382594
1-[4-[3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4-ethylpiperidin-1-yl]ethanone
CID 175382680
1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 157025871
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025987
3-[(R)-hydroxy-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid
CID 168861448
(4S)-4-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 157026582
1-[4-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4-fluoropiperidin-1-yl]ethanone
CID 157026055
N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide
CID 157026210
1-[(3S)-3-[[3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]ethanone
CID 175389223
1-[4-[3-[5-[hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 175382927

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 175382663) is 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is CCN1CC(C)(C(O)(c2ccc(C(C)C)cc2)c2cncc(-c3noc(C(C)(C)O)n3)c2)C1.
What is the InChIKey of 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is FEPQRUAGNFGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-7-30-15-25(6,16-30)26(32,20-10-8-18(9-11-20)17(2)3)21-12-19(13-27-14-21)22-28-23(33-29-22)24(4,5)31/h8-14,17,31-32H,7,15-16H2,1-6H3.
What are the key properties of 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 450.58 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(1-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 175382663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).