1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one

C13H19N3O3 — CID 72861593

IUPAC1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1nc(C2CCOC2)no1
InChIInChI=1S/C13H19N3O3/c17-12-4-2-7-16(12)6-1-3-11-14-13(15-19-11)10-5-8-18-9-10/h10H,1-9H2
InChIKeyPKLVGCIXCVMTQY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds5

About 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one

1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one (PubChem CID 72861593) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
PubChem CID72861593
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1nc(C2CCOC2)no1
InChIInChI=1S/C13H19N3O3/c17-12-4-2-7-16(12)6-1-3-11-14-13(15-19-11)10-5-8-18-9-10/h10H,1-9H2
InChIKeyPKLVGCIXCVMTQY-UHFFFAOYSA-N
XLogP1.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one (CID 72861593) is 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCc1nc(C2CCOC2)no1.
What is the InChIKey of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one?
The InChIKey is PKLVGCIXCVMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12-4-2-7-16(12)6-1-3-11-14-13(15-19-11)10-5-8-18-9-10/h10H,1-9H2.
What are the key properties of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one?
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 72861593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).