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

C14H15N3O2 — CID 71823766

IUPAC1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2nc(CN3CCCC3=O)no2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyNUEPVPSUNLWZPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.17
Rot. Bonds3

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

1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 71823766) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID71823766
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2nc(CN3CCCC3=O)no2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyNUEPVPSUNLWZPO-UHFFFAOYSA-N
XLogP2.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (CID 71823766) is 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is Cc1cccc(-c2nc(CN3CCCC3=O)no2)c1.
What is the InChIKey of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is NUEPVPSUNLWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71823766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).