Name: Name:1-Piperidinecarboxylic acid, 4-[3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000WUS
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-[3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester

CAS No.:

1272756-23-6

Catalog Number:

AG000WUS

Molecular Formula:

C19H25N3O5S

Molecular Weight:

407.4839

Catalog Number:

AG000WUS

Chemical Name:

1-Piperidinecarboxylic acid, 4-[3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester

CAS Number:

1272756-23-6

Molecular Formula:

C19H25N3O5S

Molecular Weight:

407.4839

MDL Number:

MFCD18651706

IUPAC Name:

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

InChI:

InChI=1S/C19H25N3O5S/c1-19(2,3)26-18(23)22-11-9-14(10-12-22)17-20-16(21-27-17)13-5-7-15(8-6-13)28(4,24)25/h5-8,14H,9-12H2,1-4H3

InChI Key:

ZOKZMUNOECGKIO-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)c1onc(n1)c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C

Complexity:

642

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

407.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

407.485g/mol

Monoisotopic Mass:

407.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5