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Ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

HCID 3231335
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1nc(-c2ccccc2)oc1C
InChIKey
BIHPJNQKVPGOCY-UHFFFAOYSA-N
Molecular formula
C13H13NO3
Average molar mass
231.25 g/mol

Names & identifiers

Preferred name
Ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
IUPAC
ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Names & synonyms

61151-96-0ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylateETHYL 5-METHYL-2-PHENYLOXAZOLE-4-CARBOXYLATE5-Methyl-2-phenyl-oxazole-4-carboxylic acid ethyl esterMFCD05244510ethyl (5-Methyl-2-phenyloxazol-4-yl)carboxylateSCHEMBL2485336CHEMBL2147751BIHPJNQKVPGOCY-UHFFFAOYSA-NSBB097749AKOS025392368AS-5180
Show more names
SY267134CS-0454105ethyl5-methyl-2-phenyl-1,3-oxazole-4-carboxylateF3167025-methyl-2-phenyl-oxazole-4-carboxylic ethyl ester

Database identifiers

PubChem CID
3231335
ChEMBL
CHEMBL2147751
Nikkaji
J702.884I

Properties

Computed structural properties

XLogP
3
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
263

Related reactions

5 records
New reaction record
HRID 453290 reaction equation
HRID 453290As productuspto-grants-2013_07
HRID 453291 reaction equation
HRID 453291As reactantuspto-grants-2013_07
HRID 1149284 reaction equation
HRID 1149284As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1799104 reaction equation
HRID 1799104As productuspto-grants-2013_01
HRID 1799105 reaction equation
HRID 1799105As reactantuspto-grants-2013_01

Compound notes

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