4-benzyl-3-methyl-1,2,4-oxadiazol-5-one

C10H10N2O2 — CID 15041338

IUPAC4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMDEFLFIXRVWZLQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.19
Rot. Bonds2

About 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one

4-benzyl-3-methyl-1,2,4-oxadiazol-5-one (PubChem CID 15041338) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
PubChem CID15041338
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMDEFLFIXRVWZLQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-3-methyl-1,2,4-oxadiazol-5-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

3-amino-4-benzyl-1,2,4-oxadiazol-5-one
CID 11819868
4-benzyl-5-oxo-1,2,4-oxadiazole-3-carbonitrile
CID 121215728
4-[(4-aminoquinazolin-2-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-one
CID 146082955
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
CID 52848486

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one (CID 15041338) is 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is MDEFLFIXRVWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
4-benzyl-3-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 15041338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).