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

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

CAS: 1018143-62-8

Formula: C12H12N2O4

SMILES: CCOC(=O)C1=NN=C(O1)C1=CC=CC(OC)=C1

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

InChI: InChI=1S/C12H12N2O4/c1-3-17-12(15)11-14-13-10(18-11)8-5-4-6-9(7-8)16-2/h4-7H,3H2,1-2H3

Composition: C (58.06%), H (4.87%), N (11.29%), O (25.78%)

Molar Mass: 248.238

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	248.079706874
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MLYPXPIIGLKUCO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.8
Topological Polar Surface Area	74.45
Polarizability	24.57
Ring Count	2
Rotatable Bond Count	5

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