5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C14H23N3O2 — CID 129490469

IUPAC5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2C[C@H]2CCCCO2)no1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-14(16-19-13)12-7-5-8-17(12)10-11-6-3-4-9-18-11/h11-12H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeySJCFPDPEICJNTO-NEPJUHHUSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds4

About 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 129490469) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID129490469
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2C[C@H]2CCCCO2)no1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-14(16-19-13)12-7-5-8-17(12)10-11-6-3-4-9-18-11/h11-12H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeySJCFPDPEICJNTO-NEPJUHHUSA-N
XLogP2.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147
3-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766227
1-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 95766259
(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95766764
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
2-[[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136726881
5-methoxy-1,3-dimethyl-4-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]pyrazole
CID 129461187
1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115081408
2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95766273
N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 95781197
(5S)-5-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 96511071
[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779415

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 129490469) is 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is CCc1nc([C@@H]2CCCN2C[C@H]2CCCCO2)no1.
What is the InChIKey of 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is SJCFPDPEICJNTO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-13-15-14(16-19-13)12-7-5-8-17(12)10-11-6-3-4-9-18-11/h11-12H,2-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129490469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).