3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C26H32N4O5 — CID 58389057

IUPAC3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)C1CCN(Cc2cc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)on2)CC1
InChIInChI=1S/C26H32N4O5/c1-16(2)17-8-10-29(11-9-17)13-18-12-19(35-28-18)15-34-23-5-3-4-20-21(23)14-30(26(20)33)22-6-7-24(31)27-25(22)32/h3-5,12,16-17,22H,6-11,13-15H2,1-2H3,(H,27,31,32)
InChIKeyZDSPIROFTXKKCR-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.88
Rot. Bonds7

About 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 58389057) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID58389057
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)C1CCN(Cc2cc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)on2)CC1
InChIInChI=1S/C26H32N4O5/c1-16(2)17-8-10-29(11-9-17)13-18-12-19(35-28-18)15-34-23-5-3-4-20-21(23)14-30(26(20)33)22-6-7-24(31)27-25(22)32/h3-5,12,16-17,22H,6-11,13-15H2,1-2H3,(H,27,31,32)
InChIKeyZDSPIROFTXKKCR-UHFFFAOYSA-N
XLogP2.88
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
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 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 58389057) is 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)C1CCN(Cc2cc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)on2)CC1.
What is the InChIKey of 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZDSPIROFTXKKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-16(2)17-8-10-29(11-9-17)13-18-12-19(35-28-18)15-34-23-5-3-4-20-21(23)14-30(26(20)33)22-6-7-24(31)27-25(22)32/h3-5,12,16-17,22H,6-11,13-15H2,1-2H3,(H,27,31,32).
What are the key properties of 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 480.57 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 58389057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).