3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide

C17H23N5O2 — CID 134714083

IUPAC3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide
SMILESCC(C)c1noc([C@@H]2CCCN2CCC(=O)Nc2cccnc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)14-6-4-9-22(14)10-7-15(23)19-13-5-3-8-18-11-13/h3,5,8,11-12,14H,4,6-7,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyQOKVKQBKBFFVBA-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.75
Rot. Bonds6

About 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide

3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide (PubChem CID 134714083) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide
PubChem CID134714083
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide
SMILESCC(C)c1noc([C@@H]2CCCN2CCC(=O)Nc2cccnc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)14-6-4-9-22(14)10-7-15(23)19-13-5-3-8-18-11-13/h3,5,8,11-12,14H,4,6-7,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyQOKVKQBKBFFVBA-AWEZNQCLSA-N
XLogP2.75
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 162666113
3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 124751878
3-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91831128
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95132914
5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95133379
methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 70706146
N-phenyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891217
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide
CID 71846093

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide (CID 134714083) is 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide is CC(C)c1noc([C@@H]2CCCN2CCC(=O)Nc2cccnc2)n1.
What is the InChIKey of 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is QOKVKQBKBFFVBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)14-6-4-9-22(14)10-7-15(23)19-13-5-3-8-18-11-13/h3,5,8,11-12,14H,4,6-7,9-10H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide?
3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 134714083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).