5-Methyl-2-(1-methylcyclohexyl)-1,3-oxazole-4-carboxylic acid

HCID 13282928

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Basic information

CAS: 89724-33-4
Standard SMILES: Cc1oc(C2(C)CCCCC2)nc1C(=O)O
InChIKey: QETQOVGQOIEHNU-UHFFFAOYSA-N
Molecular formula: C12H17NO3
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.1208434

Names & identifiers

Preferred name: 5-Methyl-2-(1-methylcyclohexyl)-1,3-oxazole-4-carboxylic acid
IUPAC: 5-methyl-2-(1-methylcyclohexyl)-1,3-oxazole-4-carboxylic acid

Names & synonyms

89724-33-45-Methyl-2-(1-methylcyclohexyl)oxazole-4-carboxylic acid5-Methyl-2-(1-methylcyclohexyl)-1,3-oxazole-4-carboxylic acidSCHEMBL10808316DTXSID20534579

Database identifiers

CAS: 89724-33-4
PubChem CID: 13282928
DTXSID: DTXSID20534579

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 273

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