N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

C30H27N3O4 — CID 60576721

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCC1(c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccc(C)cc4)o3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C30H27N3O4/c1-3-30(17-16-26(34)33-29(30)36)21-12-14-22(15-13-21)32-27(35)23-6-4-5-7-24(23)28-31-18-25(37-28)20-10-8-19(2)9-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,32,35)(H,33,34,36)
InChIKeyOZIYSIIZCWELOT-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.65
Rot. Bonds6

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 60576721) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID60576721
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCC1(c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccc(C)cc4)o3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C30H27N3O4/c1-3-30(17-16-26(34)33-29(30)36)21-12-14-22(15-13-21)32-27(35)23-6-4-5-7-24(23)28-31-18-25(37-28)20-10-8-19(2)9-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,32,35)(H,33,34,36)
InChIKeyOZIYSIIZCWELOT-UHFFFAOYSA-N
XLogP5.65
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (CID 60576721) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is CCC1(c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccc(C)cc4)o3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is OZIYSIIZCWELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-3-30(17-16-26(34)33-29(30)36)21-12-14-22(15-13-21)32-27(35)23-6-4-5-7-24(23)28-31-18-25(37-28)20-10-8-19(2)9-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,32,35)(H,33,34,36).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 493.56 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 60576721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).