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

C15H23N3O3 — CID 110196108

IUPAC1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C15H23N3O3/c1-2-14(19)18-6-3-11(10-18)9-13-16-15(21-17-13)12-4-7-20-8-5-12/h11-12H,2-10H2,1H3
InChIKeyIYDHPFUSXLTOBH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.76
Rot. Bonds4

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

1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110196108) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110196108
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C15H23N3O3/c1-2-14(19)18-6-3-11(10-18)9-13-16-15(21-17-13)12-4-7-20-8-5-12/h11-12H,2-10H2,1H3
InChIKeyIYDHPFUSXLTOBH-UHFFFAOYSA-N
XLogP1.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.76
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]propan-1-one?
The IUPAC name of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 110196108) is 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is IYDHPFUSXLTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-14(19)18-6-3-11(10-18)9-13-16-15(21-17-13)12-4-7-20-8-5-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 1.76, 4 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]propan-1-one is sourced from PubChem (CID 110196108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).