ethyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetate

ethyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetate

CAS: 478030-58-9

Formula: C13H11F3N2O3

SMILES: CCOC(=O)CC1=NC(=NO1)C1=CC=CC(=C1)C(F)(F)F

IUPAC: ethyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetate

InChI: InChI=1S/C13H11F3N2O3/c1-2-20-11(19)7-10-17-12(18-21-10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3

Composition: C (52.01%), H (3.69%), F (18.98%), N (9.33%), O (15.99%)

Molar Mass: 300.237

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.072176711
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JLWHFTHQWZKWDC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.36
Topological Polar Surface Area	65.22
Polarizability	25.12
Ring Count	2
Rotatable Bond Count	6

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