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

C21H17N5O6 — CID 178155167

IUPAC3-[5-[[3-(4-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCOc1ccncc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1
InChIInChI=1S/C21H17N5O6/c1-30-15-6-7-22-10-12(15)19-24-18(32-25-19)9-11-2-4-16-14(8-11)26(21(29)31-16)13-3-5-17(27)23-20(13)28/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,23,27,28)
InChIKeyXSBPEQRNQIVINL-UHFFFAOYSA-N
MW435.40 g/mol
LogP1.62
Rot. Bonds5

About 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

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 (PubChem CID 178155167) has the molecular formula C21H17N5O6 and a molecular weight of 435.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[5-[[3-(4-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID178155167
Molecular FormulaC21H17N5O6
Molecular Weight435.40 g/mol
Exact Mass435.12
IUPAC Name3-[5-[[3-(4-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCOc1ccncc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1
InChIInChI=1S/C21H17N5O6/c1-30-15-6-7-22-10-12(15)19-24-18(32-25-19)9-11-2-4-16-14(8-11)26(21(29)31-16)13-3-5-17(27)23-20(13)28/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,23,27,28)
InChIKeyXSBPEQRNQIVINL-UHFFFAOYSA-N
XLogP1.62
TPSA142.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[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-(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-[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-[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-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178155123
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-[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
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
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-(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-(4-methoxy-3-pyridinyl)-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-(4-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione (CID 178155167) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccncc1-c1noc(Cc2ccc3oc(=O)n(C4CCC(=O)NC4=O)c3c2)n1.
What is the InChIKey of 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?
The InChIKey is XSBPEQRNQIVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O6/c1-30-15-6-7-22-10-12(15)19-24-18(32-25-19)9-11-2-4-16-14(8-11)26(21(29)31-16)13-3-5-17(27)23-20(13)28/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,23,27,28).
What are the key properties of 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?
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 has a molecular weight of 435.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178155167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).