2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide

C13H22N4O3 — CID 133109682

IUPAC2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2noc(C)n2)C[C@H]1NC(=O)COC
InChIInChI=1S/C13H22N4O3/c1-4-5-10-6-17(13-14-9(2)20-16-13)7-11(10)15-12(18)8-19-3/h10-11H,4-8H2,1-3H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyVOHMTVWPKPGCSR-GHMZBOCLSA-N
MW282.34 g/mol
LogP0.75
Rot. Bonds6

About 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide

2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 133109682) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID133109682
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2noc(C)n2)C[C@H]1NC(=O)COC
InChIInChI=1S/C13H22N4O3/c1-4-5-10-6-17(13-14-9(2)20-16-13)7-11(10)15-12(18)8-19-3/h10-11H,4-8H2,1-3H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyVOHMTVWPKPGCSR-GHMZBOCLSA-N
XLogP0.75
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72886847
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
CID 133133456
N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 154898457
N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 154899182
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
N-[(3S,4R)-1-(4-methoxypyrimidin-2-yl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
CID 133109408
2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 72866461
2-methoxy-N-[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-methylsulfonylpiperidin-3-yl]acetamide
CID 91915749
N-[(3S,4R)-1-(1,3-benzoxazol-2-yl)-4-propylpyrrolidin-3-yl]acetamide
CID 70735296
N-[(3R,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 72890014
2-methoxy-N-[(3S,4R)-4-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
CID 138012871
N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 72856490

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide (CID 133109682) is 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(c2noc(C)n2)C[C@H]1NC(=O)COC.
What is the InChIKey of 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is VOHMTVWPKPGCSR-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-5-10-6-17(13-14-9(2)20-16-13)7-11(10)15-12(18)8-19-3/h10-11H,4-8H2,1-3H3,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide?
2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133109682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).