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

C16H19N3O3 — CID 75380518

IUPAC5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)c1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)14-17-19(15(21)22-14)12-9-10-18(13(12)20)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyGTOWCKPFYKWXHI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.11
Rot. Bonds2

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

5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one (PubChem CID 75380518) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
PubChem CID75380518
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)c1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)14-17-19(15(21)22-14)12-9-10-18(13(12)20)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyGTOWCKPFYKWXHI-UHFFFAOYSA-N
XLogP2.11
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one (CID 75380518) is 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one is CC(C)(C)c1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1.
What is the InChIKey of 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is GTOWCKPFYKWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)14-17-19(15(21)22-14)12-9-10-18(13(12)20)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 301.35 g/mol, XLogP of 2.11, 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-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75380518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).