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

C10H15N3O2 — CID 71823742

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
SMILESCCCc1nc(CN2CCCC2=O)no1
InChIInChI=1S/C10H15N3O2/c1-2-4-9-11-8(12-15-9)7-13-6-3-5-10(13)14/h2-7H2,1H3
InChIKeyDIAWSXMREIEUOG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.14
Rot. Bonds4

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

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 71823742) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID71823742
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
SMILESCCCc1nc(CN2CCCC2=O)no1
InChIInChI=1S/C10H15N3O2/c1-2-4-9-11-8(12-15-9)7-13-6-3-5-10(13)14/h2-7H2,1H3
InChIKeyDIAWSXMREIEUOG-UHFFFAOYSA-N
XLogP1.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one (CID 71823742) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one is CCCc1nc(CN2CCCC2=O)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is DIAWSXMREIEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-4-9-11-8(12-15-9)7-13-6-3-5-10(13)14/h2-7H2,1H3.
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 71823742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).