3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide

C17H23N5O3 — CID 110124261

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCCc1noc(CCC(=O)NCC2(O)CCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H23N5O3/c1-2-13-20-16(25-21-13)7-6-15(23)19-11-17(24)8-10-22(12-17)14-5-3-4-9-18-14/h3-5,9,24H,2,6-8,10-12H2,1H3,(H,19,23)
InChIKeyXDDJLYXCNWZTKA-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.72
Rot. Bonds7

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 110124261) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID110124261
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCCc1noc(CCC(=O)NCC2(O)CCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H23N5O3/c1-2-13-20-16(25-21-13)7-6-15(23)19-11-17(24)8-10-22(12-17)14-5-3-4-9-18-14/h3-5,9,24H,2,6-8,10-12H2,1H3,(H,19,23)
InChIKeyXDDJLYXCNWZTKA-UHFFFAOYSA-N
XLogP0.72
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
CID 124943074
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 125023156
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110124192
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 124946133
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123987
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 124957412

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 110124261) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide is CCc1noc(CCC(=O)NCC2(O)CCN(c3ccccn3)C2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is XDDJLYXCNWZTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-13-20-16(25-21-13)7-6-15(23)19-11-17(24)8-10-22(12-17)14-5-3-4-9-18-14/h3-5,9,24H,2,6-8,10-12H2,1H3,(H,19,23).
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 110124261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).