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

C19H17N5O3 — CID 11111248

IUPAC2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3nccn3C)c3ccccc23)no1
InChIInChI=1S/C19H17N5O3/c1-12-9-16(22-27-12)21-19(26)18(25)14-10-24(11-17-20-7-8-23(17)2)15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,22,26)
InChIKeyKYEKKJUEJGDNBT-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.54
Rot. Bonds5

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

2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 11111248) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID11111248
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3nccn3C)c3ccccc23)no1
InChIInChI=1S/C19H17N5O3/c1-12-9-16(22-27-12)21-19(26)18(25)14-10-24(11-17-20-7-8-23(17)2)15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,22,26)
InChIKeyKYEKKJUEJGDNBT-UHFFFAOYSA-N
XLogP2.54
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide 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-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 11111248) is 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3nccn3C)c3ccccc23)no1.
What is the InChIKey of 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is KYEKKJUEJGDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-9-16(22-27-12)21-19(26)18(25)14-10-24(11-17-20-7-8-23(17)2)15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,22,26).
What are the key properties of 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 363.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 11111248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).