3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C26H30N4O6 — CID 156501049

IUPAC3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)c1cc(C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C26H30N4O6/c1-15(2)22-12-20(28-36-22)26(34)29-10-4-3-5-17(29)14-35-18-6-7-19-16(11-18)13-30(25(19)33)21-8-9-23(31)27-24(21)32/h6-7,11-12,15,17,21H,3-5,8-10,13-14H2,1-2H3,(H,27,31,32)
InChIKeyFRANGHYFDPEXLH-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.63
Rot. Bonds6

About 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156501049) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156501049
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)c1cc(C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C26H30N4O6/c1-15(2)22-12-20(28-36-22)26(34)29-10-4-3-5-17(29)14-35-18-6-7-19-16(11-18)13-30(25(19)33)21-8-9-23(31)27-24(21)32/h6-7,11-12,15,17,21H,3-5,8-10,13-14H2,1-2H3,(H,27,31,32)
InChIKeyFRANGHYFDPEXLH-UHFFFAOYSA-N
XLogP2.63
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[[(2R)-1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512083
3-[6-[[(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501069
3-[6-[[(2R)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512105
3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512014
3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512019
3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512274
3-[6-[[(2R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512127
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
3-[6-[[(2S)-1-[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166499442
3-[6-[[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500876
3-[3-oxo-6-[[(2R)-1-(4-pentylbenzoyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512029
3-[3-oxo-6-[[(2R)-1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512009

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156501049) is 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)c1cc(C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1.
What is the InChIKey of 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FRANGHYFDPEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-15(2)22-12-20(28-36-22)26(34)29-10-4-3-5-17(29)14-35-18-6-7-19-16(11-18)13-30(25(19)33)21-8-9-23(31)27-24(21)32/h6-7,11-12,15,17,21H,3-5,8-10,13-14H2,1-2H3,(H,27,31,32).
What are the key properties of 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 494.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156501049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).