ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

CAS: 163719-81-1

Formula: C11H9FN2O3

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

IUPAC: ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

InChI: InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3

Composition: C (55.94%), H (3.84%), F (8.04%), N (11.86%), O (20.32%)

Molar Mass: 236.202

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.059720321
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BCZQNQXJPMUTQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.55
Topological Polar Surface Area	65.22
Polarizability	21.77
Ring Count	2
Rotatable Bond Count	4

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