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

C25H30N4O3 — CID 175382838

IUPAC2-[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
SMILESC=C(C)c1ccc(C(O)(c2cncc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C25H30N4O3/c1-16(2)17-7-9-19(10-8-17)25(31,24(5)14-29(6)15-24)20-11-18(12-26-13-20)21-27-22(32-28-21)23(3,4)30/h7-13,30-31H,1,14-15H2,2-6H3
InChIKeyNOMHJIYORGNXSC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.58
Rot. Bonds6

About 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

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 (PubChem CID 175382838) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID175382838
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[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
SMILESC=C(C)c1ccc(C(O)(c2cncc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C25H30N4O3/c1-16(2)17-7-9-19(10-8-17)25(31,24(5)14-29(6)15-24)20-11-18(12-26-13-20)21-27-22(32-28-21)23(3,4)30/h7-13,30-31H,1,14-15H2,2-6H3
InChIKeyNOMHJIYORGNXSC-UHFFFAOYSA-N
XLogP3.58
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-ethyl-3-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 175382663
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
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
(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
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
(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-[(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
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-[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
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
(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 157026524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)c1ccc(C(O)(c2cncc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of 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?
The InChIKey is NOMHJIYORGNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16(2)17-7-9-19(10-8-17)25(31,24(5)14-29(6)15-24)20-11-18(12-26-13-20)21-27-22(32-28-21)23(3,4)30/h7-13,30-31H,1,14-15H2,2-6H3.
What are the key properties of 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?
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 has a molecular weight of 434.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175382838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).