2-Methyl-5-phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-thiazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide

HCID 42644153
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Basic information

Standard SMILES
CC(=O)c1csc(Cn2ncc(NC(=O)c3nc(C)oc3-c3ccccc3)n2)n1
InChIKey
XDNMMQVDZVMLJY-UHFFFAOYSA-N
Molecular formula
C19H16N6O3S
Average molar mass
408.4 g/mol
Monoisotopic mass
408.10045957

Names & identifiers

Preferred name
2-Methyl-5-phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-thiazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide
IUPAC
N-[2-[(4-acetyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide

Names & synonyms

SCHEMBL2330390XDNMMQVDZVMLJY-UHFFFAOYSA-N2-Methyl-5-phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-thiazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide

Database identifiers

PubChem CID
42644153

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
144 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

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2-Methyl-5-phenyl-oxazole-4-carboxylic acid [2-(4-acetyl-thiazol-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide (HCID 42644153)｜Huagongshe