4,5-Dihydro-2-[2-methyl-3-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-oxazole - CAS 1797883-60-3

Catalog:	BB055804
Product Name:	4,5-Dihydro-2-[2-methyl-3-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-oxazole
CAS:	1797883-60-3
Synonyms:	2-[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole; 4,5-Dihydro-2-[2-methyl-3-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-oxazole; 2-(3-((1H-Imidazol-5-yl)methyl)-2-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole

Technical Data

IUPAC Name:	2-[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
Description:	4,5-Dihydro-2-[2-methyl-3-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-oxazole is an intermediate used in the preparation of 3-Carboxy Detomidine (C177915), a major metabolite of the drug Detomidine.
Molecular Weight:	269.34
Molecular Formula:	C16H19N3O
Canonical SMILES:	CC1=C(C=CC=C1C2=NC(CO2)(C)C)CC3=CN=CN3
InChI:	InChI=1S/C16H19N3O/c1-11-12(7-13-8-17-10-18-13)5-4-6-14(11)15-19-16(2,3)9-20-15/h4-6,8,10H,7,9H2,1-3H3,(H,17,18)
InChI Key:	YZEWAXQSKIAOOD-UHFFFAOYSA-N
Melting Point:	195-197°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Yellow Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere

Complexity:	380
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.152812238
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	269.152812238
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5