N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide

C24H25N5O7 — CID 167961125

IUPACN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide
SMILESCC(C)c1conc1NC(=O)C(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H25N5O7/c1-12(2)16-11-36-28-19(16)27-22(33)21(32)25-9-3-4-13-5-6-14-15(10-13)24(35)29(23(14)34)17-7-8-18(30)26-20(17)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H,25,32)(H,26,30,31)(H,27,28,33)
InChIKeyFOUAOUQFAPBGCN-UHFFFAOYSA-N
MW495.49 g/mol
LogP0.89
Rot. Bonds7

About N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide

N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide (PubChem CID 167961125) has the molecular formula C24H25N5O7 and a molecular weight of 495.49 g/mol. Its IUPAC name is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide
PubChem CID167961125
Molecular FormulaC24H25N5O7
Molecular Weight495.49 g/mol
Exact Mass495.18
IUPAC NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide
SMILESCC(C)c1conc1NC(=O)C(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H25N5O7/c1-12(2)16-11-36-28-19(16)27-22(33)21(32)25-9-3-4-13-5-6-14-15(10-13)24(35)29(23(14)34)17-7-8-18(30)26-20(17)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H,25,32)(H,26,30,31)(H,27,28,33)
InChIKeyFOUAOUQFAPBGCN-UHFFFAOYSA-N
XLogP0.89
TPSA167.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide with MolForge

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Related Compounds

N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-4-methylpiperazine-1-carboxamide
CID 167810312
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(3-ethynylphenyl)oxamide
CID 166427269
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
(2R,6S)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 166425521
3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
CID 166425489
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
CID 166425463
1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166425552
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl methanesulfonate
CID 161284436
N-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propylamino]-2-methyl-4-(1-propan-2-yltetrazol-5-yl)pentan-2-yl]prop-2-enamide
CID 167854623

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide (CID 167961125) is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide is CC(C)c1conc1NC(=O)C(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The InChIKey is FOUAOUQFAPBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O7/c1-12(2)16-11-36-28-19(16)27-22(33)21(32)25-9-3-4-13-5-6-14-15(10-13)24(35)29(23(14)34)17-7-8-18(30)26-20(17)31/h5-6,10-12,17H,3-4,7-9H2,1-2H3,(H,25,32)(H,26,30,31)(H,27,28,33).
What are the key properties of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide?
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide has a molecular weight of 495.49 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(4-propan-2-yl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 167961125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).