Anticancer agent 73

HCID 20064063

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C
InChIKey: DAFRLXQGMZPMLA-UHFFFAOYSA-N
Molecular formula: C14H15NO4
Average molar mass: 261.27 g/mol
Monoisotopic mass: 261.10010796

Names & identifiers

Preferred name: Anticancer agent 73
IUPAC: ethyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate

Names & synonyms

Anticancer agent 73124811-87-6Ethyl 2-(4-methoxyphenyl)-5-methyloxazole-4-carboxylateCHEMBL5170759CIB3bCIB-3borb1689602SCHEMBL3535824DAFRLXQGMZPMLA-UHFFFAOYSA-NGLXC-25890BDBM50598483EX-A14288

Show more names

MFCD34676350DA-63299MS-23680SY324624HY-147918CS-0530212H39792T60420

Database identifiers

PubChem CID: 20064063
ChEMBL: CHEMBL5170759

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 302

Related reactions

8 records

New reaction record

HRID 359835As productuspto-grants-1991_03

HRID 1202861As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1905518As productuspto-grants-1989_06

HRID 2165418As productuspto-grants-1990_07

HRID 2233562As productuspto-grants-2010_05

HRID 2233563As reactantuspto-grants-2010_05

HRID 2263390As productuspto-grants-2010_12

HRID 2263391As reactantuspto-grants-2010_12

Compound notes

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