methyl 3-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

methyl 3-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

CAS: 175276-89-8

Formula: C13H10F3NO3

SMILES: COC(=O)C1=C(ON=C1C)C1=CC=C(C=C1)C(F)(F)F

IUPAC: methyl 3-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

InChI: InChI=1S/C13H10F3NO3/c1-7-10(12(18)19-2)11(20-17-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3

Composition: C (54.74%), H (3.53%), F (19.98%), N (4.91%), O (16.83%)

Molar Mass: 285.222

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	285.061277675
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JFXVMJOLMJJRDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.1
Topological Polar Surface Area	52.33
Polarizability	24.62
Ring Count	2
Rotatable Bond Count	4

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