1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one

C15H23N3O3 — CID 91650073

IUPAC1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCC(C)(C)[C@H]1OCC[C@@H]1c1noc(CN2CCCC2=O)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)13-10(6-8-20-13)14-16-11(21-17-14)9-18-7-4-5-12(18)19/h10,13H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyCGYYDBCLLFYNNG-GWCFXTLKSA-N
MW293.37 g/mol
LogP2.11
Rot. Bonds3

About 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one

1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 91650073) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID91650073
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCC(C)(C)[C@H]1OCC[C@@H]1c1noc(CN2CCCC2=O)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)13-10(6-8-20-13)14-16-11(21-17-14)9-18-7-4-5-12(18)19/h10,13H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyCGYYDBCLLFYNNG-GWCFXTLKSA-N
XLogP2.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-[2-(Cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 124044108
ethyl (3R)-3-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 99842688
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 72003135
1-{[3-(Tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrrolidin-2-one
CID 72879590
4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 91650070
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443277
(1S,5S,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97569020
(4R)-4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 99830550
(4S)-4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 99830551
ethyl (3S)-3-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 99842687
4-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-1,2,4-triazol-5-one
CID 99842746

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (CID 91650073) is 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CN2CCCC2=O)n1.
What is the InChIKey of 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is CGYYDBCLLFYNNG-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)13-10(6-8-20-13)14-16-11(21-17-14)9-18-7-4-5-12(18)19/h10,13H,4-9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91650073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).