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

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

CAS: 1385696-43-4

Formula: C9H14N2O3

SMILES: CCOC(=O)C1=NOC(CC(C)C)=N1

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

InChI: InChI=1S/C9H14N2O3/c1-4-13-9(12)8-10-7(14-11-8)5-6(2)3/h6H,4-5H2,1-3H3

Composition: C (54.53%), H (7.12%), N (14.13%), O (24.21%)

Molar Mass: 198.222

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.100442319
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RCYCHUAEZVOVCF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.33
Topological Polar Surface Area 65.22
Polarizability 19.1
Ring Count 1
Rotatable Bond Count 5

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96% <2 Days 1385696-43-4 $851.00-$5,612.00$851.00$1,587.00$5,612.00
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