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2-Tert-butyl-5-methyl-4-oxazoleacetic acid

HCID 13282973
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oc(C(C)(C)C)nc1CC(=O)O
InChIKey
RZASZUPPOFVNDG-UHFFFAOYSA-N
Molecular formula
C10H15NO3
Average molar mass
197.23 g/mol

Names & identifiers

Preferred name
2-Tert-butyl-5-methyl-4-oxazoleacetic acid
IUPAC
2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid

Names & synonyms

89724-61-8SCHEMBL5558215RZASZUPPOFVNDG-UHFFFAOYSA-NAKOS0063145482-tert-butyl-5-methyl-4-oxazoleacetic acidDS-022331(2-tert-Butyl-5-methyl-oxazol-4-yl)-acetic acid

Database identifiers

PubChem CID
13282973

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
222

Related reactions

4 records
New reaction record
HRID 746033 reaction equation
HRID 746033As productuspto-grants-1986_07
HRID 1229336 reaction equation
HRID 1229336As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2215191 reaction equation
HRID 2215191As productuspto-grants-2006_09
HRID 2215192 reaction equation
HRID 2215192As reactantuspto-grants-2006_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes