Name: Name:tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate
Brand: Angene
SKU: AG01A6PM
Rating: 90 (10 reviews)

tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate

CAS No.:

1461709-28-3

Catalog Number:

AG01A6PM

Molecular Formula:

C16H27N3O3

Molecular Weight:

309.4039

Catalog Number:

AG01A6PM

Chemical Name:

tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate

CAS Number:

1461709-28-3

Molecular Formula:

C16H27N3O3

Molecular Weight:

309.4039

MDL Number:

MFCD25970386

IUPAC Name:

tert-butyl 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepane-1-carboxylate

InChI:

InChI=1S/C16H27N3O3/c1-11(2)14-17-13(18-22-14)12-9-7-6-8-10-19(12)15(20)21-16(3,4)5/h11-12H,6-10H2,1-5H3

InChI Key:

PRVHOQRNAFZMQL-UHFFFAOYSA-N

SMILES:

CC(c1onc(n1)C1CCCCCN1C(=O)OC(C)(C)C)C

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.41g/mol

Monoisotopic Mass:

309.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3