Name: Name:1,2,4-Oxadiazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester
Brand: Angene
SKU: AG001UCT
Rating: 90 (10 reviews)

1,2,4-Oxadiazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester

CAS No.:

163719-73-1

Catalog Number:

AG001UCT

Molecular Formula:

C9H14N2O3

Molecular Weight:

198.2191

Catalog Number:

AG001UCT

Chemical Name:

1,2,4-Oxadiazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester

CAS Number:

163719-73-1

Molecular Formula:

C9H14N2O3

Molecular Weight:

198.2191

MDL Number:

MFCD10566532

IUPAC Name:

ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate

InChI:

InChI=1S/C9H14N2O3/c1-5-13-7(12)6-10-8(11-14-6)9(2,3)4/h5H2,1-4H3

InChI Key:

VZDMDNVKCBYOAD-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1onc(n1)C(C)(C)C

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.222g/mol

Monoisotopic Mass:

198.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4