Name: Name:1-[4-Benzenesulfonyl-2-(3-nitrophenyl)oxazol-5-yl]piperidine
Brand: Angene
SKU: AG01EUYV
Rating: 90 (10 reviews)

1-[4-Benzenesulfonyl-2-(3-nitrophenyl)oxazol-5-yl]piperidine

CAS No.:

330681-80-6

Catalog Number:

AG01EUYV

Molecular Formula:

C20H19N3O5S

Molecular Weight:

413.4470

Catalog Number:

AG01EUYV

Chemical Name:

1-[4-Benzenesulfonyl-2-(3-nitrophenyl)oxazol-5-yl]piperidine

CAS Number:

330681-80-6

Molecular Formula:

C20H19N3O5S

Molecular Weight:

413.4470

MDL Number:

MFCD00695200

IUPAC Name:

4-(benzenesulfonyl)-2-(3-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole

InChI:

InChI=1S/C20H19N3O5S/c24-23(25)16-9-7-8-15(14-16)18-21-19(20(28-18)22-12-5-2-6-13-22)29(26,27)17-10-3-1-4-11-17/h1,3-4,7-11,14H,2,5-6,12-13H2

InChI Key:

AXAKGDYKYWAZDF-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)c1oc(c(n1)S(=O)(=O)c1ccccc1)N1CCCCC1

Complexity:

665

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

413.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

413.448g/mol

Monoisotopic Mass:

413.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3