N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C24H15N3O4 — CID 56508067

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H15N3O4/c28-22(21-14-20(26-31-21)15-7-2-1-3-8-15)25-16-9-6-10-17(13-16)27-23(29)18-11-4-5-12-19(18)24(27)30/h1-14H,(H,25,28)
InChIKeyQPJHGSDPVXJYCW-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.39
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 56508067) has the molecular formula C24H15N3O4 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID56508067
Molecular FormulaC24H15N3O4
Molecular Weight409.40 g/mol
Exact Mass409.11
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H15N3O4/c28-22(21-14-20(26-31-21)15-7-2-1-3-8-15)25-16-9-6-10-17(13-16)27-23(29)18-11-4-5-12-19(18)24(27)30/h1-14H,(H,25,28)
InChIKeyQPJHGSDPVXJYCW-UHFFFAOYSA-N
XLogP4.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
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-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 56508067) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is QPJHGSDPVXJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O4/c28-22(21-14-20(26-31-21)15-7-2-1-3-8-15)25-16-9-6-10-17(13-16)27-23(29)18-11-4-5-12-19(18)24(27)30/h1-14H,(H,25,28).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56508067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).