5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one

C13H21N3O3 — CID 75380510

IUPAC5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCC(n2nc(C(C)(C)C)oc2=O)C1=O
InChIInChI=1S/C13H21N3O3/c1-8(2)15-7-6-9(10(15)17)16-12(18)19-11(14-16)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeySGEFVEYGMZHTHO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.32
Rot. Bonds2

About 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one

5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one (PubChem CID 75380510) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
PubChem CID75380510
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCC(n2nc(C(C)(C)C)oc2=O)C1=O
InChIInChI=1S/C13H21N3O3/c1-8(2)15-7-6-9(10(15)17)16-12(18)19-11(14-16)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeySGEFVEYGMZHTHO-UHFFFAOYSA-N
XLogP1.32
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97227134
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
CID 165482460
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
(3S)-3-[[(2R)-1-tert-butylsulfanylpropan-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074552
3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
CID 127941636
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
(3S)-3-ethynyl-1-propan-2-ylpyrrolidin-2-one
CID 175616030
3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
CID 75381237

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one (CID 75380510) is 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one is CC(C)N1CCC(n2nc(C(C)(C)C)oc2=O)C1=O.
What is the InChIKey of 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is SGEFVEYGMZHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)15-7-6-9(10(15)17)16-12(18)19-11(14-16)13(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 267.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75380510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).