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

C14H15N3O3 — CID 168662883

IUPAC4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(CO)CC3=O)c2)no1
InChIInChI=1S/C14H15N3O3/c1-9-15-14(16-20-9)11-3-2-4-12(6-11)17-7-10(8-18)5-13(17)19/h2-4,6,10,18H,5,7-8H2,1H3
InChIKeyFXKXPDVEAYMXDJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.39
Rot. Bonds3

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

4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one (PubChem CID 168662883) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
PubChem CID168662883
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(CO)CC3=O)c2)no1
InChIInChI=1S/C14H15N3O3/c1-9-15-14(16-20-9)11-3-2-4-12(6-11)17-7-10(8-18)5-13(17)19/h2-4,6,10,18H,5,7-8H2,1H3
InChIKeyFXKXPDVEAYMXDJ-UHFFFAOYSA-N
XLogP1.39
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168508058
4-(aminomethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168660047
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723644
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746622
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 46321714

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one (CID 168662883) is 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one is Cc1nc(-c2cccc(N3CC(CO)CC3=O)c2)no1.
What is the InChIKey of 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
The InChIKey is FXKXPDVEAYMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-15-14(16-20-9)11-3-2-4-12(6-11)17-7-10(8-18)5-13(17)19/h2-4,6,10,18H,5,7-8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one has a molecular weight of 273.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168662883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).