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

C16H25N3O3 — CID 91650070

IUPAC4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CC1=O
InChIInChI=1S/C16H25N3O3/c1-5-19-9-10(8-12(19)20)15-17-14(18-22-15)11-6-7-21-13(11)16(2,3)4/h10-11,13H,5-9H2,1-4H3/t10?,11-,13-/m0/s1
InChIKeyGQCTVSSZNVKWOC-KUNJKIHDSA-N
MW307.39 g/mol
LogP2.32
Rot. Bonds3

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

4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one (PubChem CID 91650070) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
PubChem CID91650070
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CC1=O
InChIInChI=1S/C16H25N3O3/c1-5-19-9-10(8-12(19)20)15-17-14(18-22-15)11-6-7-21-13(11)16(2,3)4/h10-11,13H,5-9H2,1-4H3/t10?,11-,13-/m0/s1
InChIKeyGQCTVSSZNVKWOC-KUNJKIHDSA-N
XLogP2.32
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one (CID 91650070) is 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one is CCN1CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CC1=O.
What is the InChIKey of 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is GQCTVSSZNVKWOC-KUNJKIHDSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-19-9-10(8-12(19)20)15-17-14(18-22-15)11-6-7-21-13(11)16(2,3)4/h10-11,13H,5-9H2,1-4H3/t10?,11-,13-/m0/s1.
What are the key properties of 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 91650070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).