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

C19H18N4O6 — CID 146492012

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3O)no1
InChIInChI=1S/C19H18N4O6/c1-9-7-12(22-29-9)16(25)20-8-10-3-2-4-11-15(10)19(28)23(18(11)27)13-5-6-14(24)21-17(13)26/h2-4,7,13,18,27H,5-6,8H2,1H3,(H,20,25)(H,21,24,26)
InChIKeyIHNBQIJCZVSCFM-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.16
Rot. Bonds4

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

N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 146492012) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID146492012
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3O)no1
InChIInChI=1S/C19H18N4O6/c1-9-7-12(22-29-9)16(25)20-8-10-3-2-4-11-15(10)19(28)23(18(11)27)13-5-6-14(24)21-17(13)26/h2-4,7,13,18,27H,5-6,8H2,1H3,(H,20,25)(H,21,24,26)
InChIKeyIHNBQIJCZVSCFM-UHFFFAOYSA-N
XLogP0.16
TPSA141.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 146492012) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3O)no1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IHNBQIJCZVSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-9-7-12(22-29-9)16(25)20-8-10-3-2-4-11-15(10)19(28)23(18(11)27)13-5-6-14(24)21-17(13)26/h2-4,7,13,18,27H,5-6,8H2,1H3,(H,20,25)(H,21,24,26).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146492012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).