3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione

C19H16N6O5 — CID 178155123

IUPAC3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCn1ccnc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1
InChIInChI=1S/C19H16N6O5/c1-24-7-6-20-17(24)16-22-15(30-23-16)9-10-2-4-13-12(8-10)25(19(28)29-13)11-3-5-14(26)21-18(11)27/h2,4,6-8,11H,3,5,9H2,1H3,(H,21,26,27)
InChIKeySWWXYFUCNJXETH-UHFFFAOYSA-N
MW408.37 g/mol
LogP0.95
Rot. Bonds4

About 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione

3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione (PubChem CID 178155123) has the molecular formula C19H16N6O5 and a molecular weight of 408.37 g/mol. Its IUPAC name is 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID178155123
Molecular FormulaC19H16N6O5
Molecular Weight408.37 g/mol
Exact Mass408.12
IUPAC Name3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCn1ccnc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1
InChIInChI=1S/C19H16N6O5/c1-24-7-6-20-17(24)16-22-15(30-23-16)9-10-2-4-13-12(8-10)25(19(28)29-13)11-3-5-14(26)21-18(11)27/h2,4,6-8,11H,3,5,9H2,1H3,(H,21,26,27)
InChIKeySWWXYFUCNJXETH-UHFFFAOYSA-N
XLogP0.95
TPSA138.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[5-[[3-(1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155053
3-[5-[[3-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155202
3-[5-[[3-(2-fluoro-3-pyrimidin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155076
3-[5-[[3-(5-methoxypyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155014
3-[5-[[3-(4-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155167
3-[5-[[3-(5-methoxypyridazin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155156
3-[2-oxo-5-[[3-(3-pyridin-3-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155064
3-[2-oxo-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-b]pyridin-1-yl]piperidine-2,6-dione
CID 178155074
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione (CID 178155123) is 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione is Cn1ccnc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1.
What is the InChIKey of 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The InChIKey is SWWXYFUCNJXETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O5/c1-24-7-6-20-17(24)16-22-15(30-23-16)9-10-2-4-13-12(8-10)25(19(28)29-13)11-3-5-14(26)21-18(11)27/h2,4,6-8,11H,3,5,9H2,1H3,(H,21,26,27).
What are the key properties of 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione has a molecular weight of 408.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178155123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).