2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide

C31H25N3O4 — CID 127053394

IUPAC2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(c3ccccc3)=C(c3ccccc3)OC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C31H25N3O4/c1-21-16-18-24(19-17-21)37-20-27(35)33-34-28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)38-31(34)25-14-8-9-15-26(25)32-30(31)36/h2-19H,20H2,1H3,(H,32,36)(H,33,35)
InChIKeyIOHSVRDQHJQUOK-UHFFFAOYSA-N
MW503.56 g/mol
LogP5.07
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide

2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide (PubChem CID 127053394) has the molecular formula C31H25N3O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide
PubChem CID127053394
Molecular FormulaC31H25N3O4
Molecular Weight503.56 g/mol
Exact Mass503.18
IUPAC Name2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(c3ccccc3)=C(c3ccccc3)OC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C31H25N3O4/c1-21-16-18-24(19-17-21)37-20-27(35)33-34-28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)38-31(34)25-14-8-9-15-26(25)32-30(31)36/h2-19H,20H2,1H3,(H,32,36)(H,33,35)
InChIKeyIOHSVRDQHJQUOK-UHFFFAOYSA-N
XLogP5.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide (CID 127053394) is 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide is Cc1ccc(OCC(=O)NN2C(c3ccccc3)=C(c3ccccc3)OC23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide?
The InChIKey is IOHSVRDQHJQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O4/c1-21-16-18-24(19-17-21)37-20-27(35)33-34-28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)38-31(34)25-14-8-9-15-26(25)32-30(31)36/h2-19H,20H2,1H3,(H,32,36)(H,33,35).
What are the key properties of 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide?
2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide has a molecular weight of 503.56 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2'-oxo-4,5-diphenylspiro[1,3-oxazole-2,3'-1H-indole]-3-yl)acetamide is sourced from PubChem (CID 127053394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).