N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide

C22H22N4O6 — CID 166426954

IUPACN-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)c1conc1CNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H22N4O6/c1-22(2,3)14-10-32-25-15(14)9-23-18(28)11-4-5-12-13(8-11)21(31)26(20(12)30)16-6-7-17(27)24-19(16)29/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,23,28)(H,24,27,29)
InChIKeyGOYXSZLBWUKYDL-UHFFFAOYSA-N
MW438.44 g/mol
LogP1.30
Rot. Bonds4

About N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide

N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 166426954) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID166426954
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC NameN-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)(C)c1conc1CNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H22N4O6/c1-22(2,3)14-10-32-25-15(14)9-23-18(28)11-4-5-12-13(8-11)21(31)26(20(12)30)16-6-7-17(27)24-19(16)29/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,23,28)(H,24,27,29)
InChIKeyGOYXSZLBWUKYDL-UHFFFAOYSA-N
XLogP1.30
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 142761599
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426918
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426895
2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167275814
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167275648
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[methyl(2-pyrido[2,3-b]indol-9-ylethyl)amino]methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167274976
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
CID 166993656
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 168863631

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide (CID 166426954) is N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide is CC(C)(C)c1conc1CNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GOYXSZLBWUKYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-22(2,3)14-10-32-25-15(14)9-23-18(28)11-4-5-12-13(8-11)21(31)26(20(12)30)16-6-7-17(27)24-19(16)29/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,23,28)(H,24,27,29).
What are the key properties of N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide?
N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 166426954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).