2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide

C21H17N3O3 — CID 16866696

IUPAC2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
SMILESCc1ccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)cc1
InChIInChI=1S/C21H17N3O3/c1-13-6-8-14(9-7-13)19-10-15(24-27-19)11-23-21(26)20(25)17-12-22-18-5-3-2-4-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26)
InChIKeyZYBMNKSSGBWGGK-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.63
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide (PubChem CID 16866696) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
PubChem CID16866696
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
SMILESCc1ccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)cc1
InChIInChI=1S/C21H17N3O3/c1-13-6-8-14(9-7-13)19-10-15(24-27-19)11-23-21(26)20(25)17-12-22-18-5-3-2-4-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26)
InChIKeyZYBMNKSSGBWGGK-UHFFFAOYSA-N
XLogP3.63
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide (CID 16866696) is 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide is Cc1ccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The InChIKey is ZYBMNKSSGBWGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-6-8-14(9-7-13)19-10-15(24-27-19)11-23-21(26)20(25)17-12-22-18-5-3-2-4-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide has a molecular weight of 359.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide is sourced from PubChem (CID 16866696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).