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1644602-71-0 | tert-butyl N-{1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl}carbamate
CAS No: 1644602-71-0 Catalog No: AG00IZRB MDL No:MFCD28347973
Product Description
Catalog Number:
AG00IZRB
Chemical Name:
tert-butyl N-{1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl}carbamate
CAS Number:
1644602-71-0
Molecular Formula:
C19H27N3O4
Molecular Weight:
361.4354
MDL Number:
MFCD28347973
IUPAC Name:
tert-butyl N-[1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C19H27N3O4/c1-19(2,3)26-17(23)20-14-9-10-21(11-14)12-16-13-22(18(24)25-16)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,20,23)
InChI Key:
YELVIGDJVYDDQK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(C1)CC1OC(=O)N(C1)c1ccccc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.442g/mol
Monoisotopic Mass:
361.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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