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

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

CAS: 91393-16-7

Formula: C12H12N2O3

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

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

InChI: InChI=1S/C12H12N2O3/c1-3-16-12(15)11-13-10(14-17-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Composition: C (62.06%), H (5.21%), N (12.06%), O (20.67%)

Molar Mass: 232.239

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.084792254
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SAISCYNZBKJQRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.38
Topological Polar Surface Area	65.22
Polarizability	23.78
Ring Count	2
Rotatable Bond Count	4

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