1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone

C14H21N3O3 — CID 110196109

IUPAC1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C14H21N3O3/c1-10(18)17-5-2-11(9-17)8-13-15-14(20-16-13)12-3-6-19-7-4-12/h11-12H,2-9H2,1H3
InChIKeyRRXXGZVEHFXVBX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.37
Rot. Bonds3

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

1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110196109) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110196109
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C14H21N3O3/c1-10(18)17-5-2-11(9-17)8-13-15-14(20-16-13)12-3-6-19-7-4-12/h11-12H,2-9H2,1H3
InChIKeyRRXXGZVEHFXVBX-UHFFFAOYSA-N
XLogP1.37
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110196109) is 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1.
What is the InChIKey of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is RRXXGZVEHFXVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(18)17-5-2-11(9-17)8-13-15-14(20-16-13)12-3-6-19-7-4-12/h11-12H,2-9H2,1H3.
What are the key properties of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110196109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).