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

C26H19N5O5 — CID 178155064

IUPAC3-[2-oxo-5-[[3-(3-pyridin-3-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3ccc(Cc4nc(-c5cccc(-c6cccnc6)c5)no4)cc32)C(=O)N1
InChIInChI=1S/C26H19N5O5/c32-22-9-7-19(25(33)28-22)31-20-11-15(6-8-21(20)35-26(31)34)12-23-29-24(30-36-23)17-4-1-3-16(13-17)18-5-2-10-27-14-18/h1-6,8,10-11,13-14,19H,7,9,12H2,(H,28,32,33)
InChIKeyYBKJSCTVYHQIGC-UHFFFAOYSA-N
MW481.47 g/mol
LogP3.28
Rot. Bonds5

About 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

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 (PubChem CID 178155064) has the molecular formula C26H19N5O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[2-oxo-5-[[3-(3-pyridin-3-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID178155064
Molecular FormulaC26H19N5O5
Molecular Weight481.47 g/mol
Exact Mass481.14
IUPAC Name3-[2-oxo-5-[[3-(3-pyridin-3-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3ccc(Cc4nc(-c5cccc(-c6cccnc6)c5)no4)cc32)C(=O)N1
InChIInChI=1S/C26H19N5O5/c32-22-9-7-19(25(33)28-22)31-20-11-15(6-8-21(20)35-26(31)34)12-23-29-24(30-36-23)17-4-1-3-16(13-17)18-5-2-10-27-14-18/h1-6,8,10-11,13-14,19H,7,9,12H2,(H,28,32,33)
InChIKeyYBKJSCTVYHQIGC-UHFFFAOYSA-N
XLogP3.28
TPSA133.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

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-(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-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-(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-(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-(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-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
5-[[3-[3-(2-methyl-4-pyridinyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 178155184
5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-pyridin-3-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101046
3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154722

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCC(n2c(=O)oc3ccc(Cc4nc(-c5cccc(-c6cccnc6)c5)no4)cc32)C(=O)N1.
What is the InChIKey of 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?
The InChIKey is YBKJSCTVYHQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O5/c32-22-9-7-19(25(33)28-22)31-20-11-15(6-8-21(20)35-26(31)34)12-23-29-24(30-36-23)17-4-1-3-16(13-17)18-5-2-10-27-14-18/h1-6,8,10-11,13-14,19H,7,9,12H2,(H,28,32,33).
What are the key properties of 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?
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 has a molecular weight of 481.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178155064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).