2-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid

HCID 22493653

Basic information

Standard SMILES
Cc1cccc(COC2CCCC(OCc3nc(-c4cccc(Br)c4)oc3C)C2)c1C(=O)O
InChIKey
XQBMUJQVFFHNIO-UHFFFAOYSA-N
Molecular formula
C26H28BrNO5
Average molar mass
514.4 g/mol
Monoisotopic mass
513.11509

Names & identifiers

Preferred name
2-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid
IUPAC
2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid

Names & synonyms

2-{3-(2-(3-bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid2-{3-[2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic AcidSCHEMBL4837188XQBMUJQVFFHNIO-UHFFFAOYSA-N2-{3-[2-(3-Bromophenyl )-5-methyloxazol-4-ylmethoxyjcyclohexyloxymethyl}-6-methylbenzoic Acid

Database identifiers

PubChem CID
22493653

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
81.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
33

Related reactions

7 records

Compound notes

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