ethyl 5-amino-3-{2-[3-(trifluoromethyl)benzoyloxy]ethoxy}-1,2-oxazole-4-carboxylate

ethyl 5-amino-3-{2-[3-(trifluoromethyl)benzoyloxy]ethoxy}-1,2-oxazole-4-carboxylate

CAS: 303997-10-6

Formula: C16H15F3N2O6

SMILES: CCOC(=O)C1=C(N)ON=C1OCCOC(=O)C1=CC=CC(=C1)C(F)(F)F

IUPAC: ethyl 5-amino-3-{2-[3-(trifluoromethyl)benzoyloxy]ethoxy}-1,2-oxazole-4-carboxylate

InChI: InChI=1S/C16H15F3N2O6/c1-2-24-15(23)11-12(20)27-21-13(11)25-6-7-26-14(22)9-4-3-5-10(8-9)16(17,18)19/h3-5,8H,2,6-7,20H2,1H3

Composition: C (49.49%), H (3.89%), F (14.68%), N (7.21%), O (24.72%)

Molar Mass: 388.299

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	388.0882207
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JVGGSEXVCQDAEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.09
Topological Polar Surface Area	113.88
Polarizability	31.76
Ring Count	2
Rotatable Bond Count	10

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90%	<2 Days	303997-10-6		$51.35-$524.40$51.35$63.37$86.31$524.40