5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide

C24H19ClN4O5 — CID 168880095

IUPAC5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)c4cc(-c5ccc(Cl)cc5)on4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H19ClN4O5/c25-16-4-2-14(3-5-16)20-10-18(28-34-20)22(31)26-11-13-1-6-17-15(9-13)12-29(24(17)33)19-7-8-21(30)27-23(19)32/h1-6,9-10,19H,7-8,11-12H2,(H,26,31)(H,27,30,32)
InChIKeyNXQOIZIZMLQXGU-UHFFFAOYSA-N
MW478.89 g/mol
LogP2.69
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 168880095) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID168880095
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Name5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)c4cc(-c5ccc(Cl)cc5)on4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H19ClN4O5/c25-16-4-2-14(3-5-16)20-10-18(28-34-20)22(31)26-11-13-1-6-17-15(9-13)12-29(24(17)33)19-7-8-21(30)27-23(19)32/h1-6,9-10,19H,7-8,11-12H2,(H,26,31)(H,27,30,32)
InChIKeyNXQOIZIZMLQXGU-UHFFFAOYSA-N
XLogP2.69
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 168880037
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
4-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 168880086
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]quinoxaline-2-carboxamide
CID 168880034
2-(4-chlorophenyl)-N-[[2-[(3S)-2,7-dioxoazepan-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 166818458
4-bromo-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 168880077
1-(5-chloro-2-ethylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 70944165
1-tert-butyl-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 44538828
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]morpholine-4-carboxamide
CID 44538415
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-methylsulfonylbenzamide
CID 44538015
3-[6-[[[(3R,4R)-4-hydroxypyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721659
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-(4-phenylphenyl)prop-2-ynamide
CID 167288982

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide (CID 168880095) is 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide is O=C1CCC(N2Cc3cc(CNC(=O)c4cc(-c5ccc(Cl)cc5)on4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NXQOIZIZMLQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c25-16-4-2-14(3-5-16)20-10-18(28-34-20)22(31)26-11-13-1-6-17-15(9-13)12-29(24(17)33)19-7-8-21(30)27-23(19)32/h1-6,9-10,19H,7-8,11-12H2,(H,26,31)(H,27,30,32).
What are the key properties of 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 478.89 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 168880095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).