1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C12H19N3O2 — CID 127417127

IUPAC1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C12H19N3O2/c1-8(16)15-6-5-9(7-15)10-13-11(14-17-10)12(2,3)4/h9H,5-7H2,1-4H3
InChIKeyQQLGSBOLMXDFAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.70
Rot. Bonds1

About 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 127417127) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID127417127
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C12H19N3O2/c1-8(16)15-6-5-9(7-15)10-13-11(14-17-10)12(2,3)4/h9H,5-7H2,1-4H3
InChIKeyQQLGSBOLMXDFAA-UHFFFAOYSA-N
XLogP1.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 127417127) is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C(C)(C)C)no2)C1.
What is the InChIKey of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is QQLGSBOLMXDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(16)15-6-5-9(7-15)10-13-11(14-17-10)12(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127417127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).