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

C11H15N3O3 — CID 72879590

IUPAC1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C11H15N3O3/c15-10-2-1-4-14(10)6-9-12-11(13-17-9)8-3-5-16-7-8/h8H,1-7H2
InChIKeySFXZDQJTNWOWEX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds3

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

1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 72879590) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID72879590
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C11H15N3O3/c15-10-2-1-4-14(10)6-9-12-11(13-17-9)8-3-5-16-7-8/h8H,1-7H2
InChIKeySFXZDQJTNWOWEX-UHFFFAOYSA-N
XLogP0.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (CID 72879590) is 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nc(C2CCOC2)no1.
What is the InChIKey of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is SFXZDQJTNWOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-2-1-4-14(10)6-9-12-11(13-17-9)8-3-5-16-7-8/h8H,1-7H2.
What are the key properties of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 237.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 72879590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).