1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone

C18H23N5O3 — CID 26743656

IUPAC1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C18H23N5O3/c1-12(24)22-8-5-13(6-9-22)23-11-14(25)10-16(23)18-20-17(21-26-18)15-4-2-3-7-19-15/h2-4,7,13-14,16,25H,5-6,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyNDTUIYVPDWXFTI-ZBFHGGJFSA-N
MW357.41 g/mol
LogP1.25
Rot. Bonds3

About 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 26743656) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID26743656
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C18H23N5O3/c1-12(24)22-8-5-13(6-9-22)23-11-14(25)10-16(23)18-20-17(21-26-18)15-4-2-3-7-19-15/h2-4,7,13-14,16,25H,5-6,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyNDTUIYVPDWXFTI-ZBFHGGJFSA-N
XLogP1.25
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 26743656) is 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is NDTUIYVPDWXFTI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(24)22-8-5-13(6-9-22)23-11-14(25)10-16(23)18-20-17(21-26-18)15-4-2-3-7-19-15/h2-4,7,13-14,16,25H,5-6,8-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 26743656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).