4,5-Dihydro-2-[2-[2-[3-Methoxyphenyl]ethyl]-4-methylphenyl]-4,4-dimethyloxazole

HCID 18689703
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(CCc2cc(C)ccc2C2=NC(C)(C)CO2)c1
InChIKey
YXPGZZJLZWLUQG-UHFFFAOYSA-N
Molecular formula
C21H25NO2
Average molar mass
323.4 g/mol
Monoisotopic mass
323.18852904

Names & identifiers

Preferred name
4,5-Dihydro-2-[2-[2-[3-Methoxyphenyl]ethyl]-4-methylphenyl]-4,4-dimethyloxazole
IUPAC
2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole

Names & synonyms

SCHEMBL7485932YXPGZZJLZWLUQG-UHFFFAOYSA-N4,5-Dihydro-2-[2-[2-[3-Methoxyphenyl]ethyl]-4-methylphenyl]-4,4-dimethyloxazole

Database identifiers

PubChem CID
18689703

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
30.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
New reaction record

Linked notes

Loading…