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

C13H23N3O2 — CID 112628218

IUPAC1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C13H23N3O2/c1-9(17)10-5-6-16(7-10)8-11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyCFOOFJKDRMMHTF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.57
Rot. Bonds3

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

1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 112628218) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID112628218
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C13H23N3O2/c1-9(17)10-5-6-16(7-10)8-11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyCFOOFJKDRMMHTF-UHFFFAOYSA-N
XLogP1.57
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol (CID 112628218) is 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nc(C(C)(C)C)no2)C1.
What is the InChIKey of 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CFOOFJKDRMMHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(17)10-5-6-16(7-10)8-11-14-12(15-18-11)13(2,3)4/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).