3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H23N3O5 — CID 177241492

IUPAC3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nc(CC5COC5)oc4-c4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H23N3O5/c30-21-9-8-20(25(31)27-21)29-12-18-11-17(6-7-19(18)26(29)32)23-24(16-4-2-1-3-5-16)34-22(28-23)10-15-13-33-14-15/h1-7,11,15,20H,8-10,12-14H2,(H,27,30,31)
InChIKeyRNMWOGFJHWBDSP-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.96
Rot. Bonds5

About 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241492) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241492
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nc(CC5COC5)oc4-c4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H23N3O5/c30-21-9-8-20(25(31)27-21)29-12-18-11-17(6-7-19(18)26(29)32)23-24(16-4-2-1-3-5-16)34-22(28-23)10-15-13-33-14-15/h1-7,11,15,20H,8-10,12-14H2,(H,27,30,31)
InChIKeyRNMWOGFJHWBDSP-UHFFFAOYSA-N
XLogP2.96
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[2-[(3,3-difluorocyclobutyl)methyl]-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241097
3-[6-(2-cyclopropyl-5-phenyl-1,3-oxazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075390
3-[3-oxo-6-(5-phenyl-1,2-oxazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075864
3-[6-[4-(cyclopropylmethyl)-1-phenylimidazol-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241483
3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075164
3-[6-[2-(oxan-4-yl)-5-phenyl-1,3-thiazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241548
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-(1,5-dimethyl-4-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075260
3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241260
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166174002
3-[6-[4,5-diphenyl-1-(trifluoromethyl)imidazol-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241101

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241492) is 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nc(CC5COC5)oc4-c4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RNMWOGFJHWBDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-21-9-8-20(25(31)27-21)29-12-18-11-17(6-7-19(18)26(29)32)23-24(16-4-2-1-3-5-16)34-22(28-23)10-15-13-33-14-15/h1-7,11,15,20H,8-10,12-14H2,(H,27,30,31).
What are the key properties of 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 457.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(oxetan-3-ylmethyl)-5-phenyl-1,3-oxazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).