AG00HWPO

1428537-19-2 | (R)-4-tert-Butyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole

AG00HWPO

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CAS Number	1428537-19-2
Catalog Number	AG00HWPO(AGN-PC-0WGC16)
Chemical Name	(R)-4-tert-Butyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
IUPAC Name	(4R)-4-tert-butyl-2-[5-(trifluoromethyl)pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI	InChI=1S/C13H15F3N2O/c1-12(2,3)10-7-19-11(18-10)9-5-4-8(6-17-9)13(14,15)16/h4-6,10H,7H2,1-3H3/t10-/m0/s1
InChI Key	AATATIAROAAKIN-JTQLQIEISA-N
MDL Number	MFCD23701102
Molecular Formula	C13H15F3N2O
Molecular Weight	272.2662
SMILES	FC(C1=CN=C(C2=N[C@H](C(C)(C)C)CO2)C=C1)(F)F
Synonyms	1428537-19-2, (R)-4-tert-Butyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole, MFCD23701102, ZINC95616390, 2-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine, 2-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]-5-(trifluoromethyl)pyridine, 98%, (99% ee), 2-[(4R)-4-(1,1-diMethylethyl)-4,5-dihydro-2-oxazolyl]-5-(trifluoroMethyl)-Pyridine,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	272.114g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.271g/mol
Monoisotopic Mass	272.114g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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