4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one

C26H19N3O4 — CID 136753325

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one
SMILESCc1cc(C2=C(c3ccccc3)NC(=O)C2(c2ccccc2)c2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C26H19N3O4/c1-17-16-22(33-28-17)23-24(18-8-4-2-5-9-18)27-25(30)26(23,19-10-6-3-7-11-19)20-12-14-21(15-13-20)29(31)32/h2-16H,1H3,(H,27,30)
InChIKeyXSQIAZVJLAJQJU-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.88
Rot. Bonds5

About 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one

4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one (PubChem CID 136753325) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one
PubChem CID136753325
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one
SMILESCc1cc(C2=C(c3ccccc3)NC(=O)C2(c2ccccc2)c2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C26H19N3O4/c1-17-16-22(33-28-17)23-24(18-8-4-2-5-9-18)27-25(30)26(23,19-10-6-3-7-11-19)20-12-14-21(15-13-20)29(31)32/h2-16H,1H3,(H,27,30)
InChIKeyXSQIAZVJLAJQJU-UHFFFAOYSA-N
XLogP4.88
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one (CID 136753325) is 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one is Cc1cc(C2=C(c3ccccc3)NC(=O)C2(c2ccccc2)c2ccc([N+](=O)[O-])cc2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The InChIKey is XSQIAZVJLAJQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-17-16-22(33-28-17)23-24(18-8-4-2-5-9-18)27-25(30)26(23,19-10-6-3-7-11-19)20-12-14-21(15-13-20)29(31)32/h2-16H,1H3,(H,27,30).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one?
4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one has a molecular weight of 437.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one is sourced from PubChem (CID 136753325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).