3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one

C15H13N5O2 — CID 45182687

IUPAC3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
SMILESCn1cnc(-c2noc(CC3NC(=O)c4ccccc43)n2)c1
InChIInChI=1S/C15H13N5O2/c1-20-7-12(16-8-20)14-18-13(22-19-14)6-11-9-4-2-3-5-10(9)15(21)17-11/h2-5,7-8,11H,6H2,1H3,(H,17,21)
InChIKeyLQXOACJVRBJZHK-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.50
Rot. Bonds3

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

3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one (PubChem CID 45182687) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
PubChem CID45182687
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
SMILESCn1cnc(-c2noc(CC3NC(=O)c4ccccc43)n2)c1
InChIInChI=1S/C15H13N5O2/c1-20-7-12(16-8-20)14-18-13(22-19-14)6-11-9-4-2-3-5-10(9)15(21)17-11/h2-5,7-8,11H,6H2,1H3,(H,17,21)
InChIKeyLQXOACJVRBJZHK-UHFFFAOYSA-N
XLogP1.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

2-(2-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)ethyl)isoindoline-1,3-dione
CID 973358
N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide
CID 171355868
(S)-5-phenyl-N-(1-(pyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 75202694
N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90192102
N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90192114
2-(2-(3-(Pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)ethyl)isoindoline-1,3-dione
CID 44116795
N-Cyclohexyl-2-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-YL]-1H-imidazol-1-YL}acetamide
CID 53178120
2-[3-(1H-imidazol-1-yl)propyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxoisoindoline-5-carboxamide
CID 70726323
3-(3-Methylimidazol-4-yl)-5-phenyl-1,2,4-oxadiazole
CID 137990581
6-fluoro-2-[[(4S)-2-methylidene-4-[4-(3-methylimidazol-4-yl)phenyl]-5-oxoimidazolidin-4-yl]methyl]-3H-isoindol-1-one
CID 118927921
1-methyl-N-[(1R,2R)-2-[3-oxo-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-isoindol-2-yl]cyclohexyl]imidazole-4-carboxamide
CID 124194102
3-methyl-N-[(1R,2R)-2-[3-oxo-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-isoindol-2-yl]cyclohexyl]imidazole-4-carboxamide
CID 124194112

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one (CID 45182687) is 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one is Cn1cnc(-c2noc(CC3NC(=O)c4ccccc43)n2)c1.
What is the InChIKey of 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The InChIKey is LQXOACJVRBJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-7-12(16-8-20)14-18-13(22-19-14)6-11-9-4-2-3-5-10(9)15(21)17-11/h2-5,7-8,11H,6H2,1H3,(H,17,21).
What are the key properties of 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one has a molecular weight of 295.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45182687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).