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

C23H17N5O6 — CID 178155202

IUPAC3-[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
SMILESCc1nc2ccc(-c3noc(Cc4ccc5oc(=O)n(C6CCC(=O)NC6=O)c5c4)n3)cc2o1
InChIInChI=1S/C23H17N5O6/c1-11-24-14-4-3-13(10-18(14)32-11)21-26-20(34-27-21)9-12-2-6-17-16(8-12)28(23(31)33-17)15-5-7-19(29)25-22(15)30/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,25,29,30)
InChIKeyBBWSSCPRHNSOHP-UHFFFAOYSA-N
MW459.42 g/mol
LogP2.66
Rot. Bonds4

About 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

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 (PubChem CID 178155202) has the molecular formula C23H17N5O6 and a molecular weight of 459.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID178155202
Molecular FormulaC23H17N5O6
Molecular Weight459.42 g/mol
Exact Mass459.12
IUPAC Name3-[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
SMILESCc1nc2ccc(-c3noc(Cc4ccc5oc(=O)n(C6CCC(=O)NC6=O)c5c4)n3)cc2o1
InChIInChI=1S/C23H17N5O6/c1-11-24-14-4-3-13(10-18(14)32-11)21-26-20(34-27-21)9-12-2-6-17-16(8-12)28(23(31)33-17)15-5-7-19(29)25-22(15)30/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,25,29,30)
InChIKeyBBWSSCPRHNSOHP-UHFFFAOYSA-N
XLogP2.66
TPSA146.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[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-(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-(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-(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-(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-[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-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccc(-c3noc(Cc4ccc5oc(=O)n(C6CCC(=O)NC6=O)c5c4)n3)cc2o1.
What is the InChIKey of 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?
The InChIKey is BBWSSCPRHNSOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O6/c1-11-24-14-4-3-13(10-18(14)32-11)21-26-20(34-27-21)9-12-2-6-17-16(8-12)28(23(31)33-17)15-5-7-19(29)25-22(15)30/h2-4,6,8,10,15H,5,7,9H2,1H3,(H,25,29,30).
What are the key properties of 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?
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 has a molecular weight of 459.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178155202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).