AG00864N

104266-90-2 | (S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one

AG00864N

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CAS Number	104266-90-2
Catalog Number	AG00864N(AGN-PC-0NVQ10)
Chemical Name	(S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one
EC Number	600-549-1
IUPAC Name	(4S)-4-benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
InChI	InChI=1S/C15H19NO3/c1-11(2)8-14(17)16-13(10-19-15(16)18)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChI Key	JHGXEUXQJIKZMY-ZDUSSCGKSA-N
MDL Number	MFCD09817644
Molecular Formula	C15H19NO3
Molecular Weight	261.3163
SMILES	CC(C)CC(=O)N1[C@@H](CC2=CC=CC=C2)COC1=O
Synonyms	104266-90-2, (S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one, (S)-3-(3-METHYLBUTANOYL)-4-BENZYLOXAZOLIDIN-2-ONE, (4S)-4-benzyl-3-(3-methylbutanoyl)oxazolidin-2-one, (S)-4-BENZYL-3-(3-METHYL-BUTYRYL)-OXAZOLIDIN-2-ONE, 2-Oxazolidinone,3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (4S)-, SCHEMBL2029159, CTK4A2899, JHGXEUXQJIKZMY-ZDUSSCGKSA-N, 0969AA, ANW-62266, MFCD09817644, ZINC26522420, AKOS016843297, DS-3804, AJ-82574, AN-33930, CJ-17497, SC-31399, AX8233826, RT-015538, 4(S)-benzyl-3-isovaleroyl-oxazolidin-2-one, AM20090803, ST24036181, 266B902, (S)-4-benzyl-3-(3-methylbutyryl)-2-oxazolidinone, 3-(3-Methylbutanoyl)-4beta-benzyloxazolidine-2-one, I14-8789, (4S)-4-benzyl-3-(3-methylbutyryl)oxazolidin-2-one, (4S)4-Benzyl-3-(3-methylbutanoyl)oxazolidine-2-one, 2-Oxazolidinone, 3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (4S)-, Copper iodide, C15H19NO3, CID11108107, 3-Isovaleroyl-4(S)-Benzyloxazolidin-2-one, (4R)-4-benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one, Aliskiren intermediate;2-Oxazolidinone, 3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (S)-, 1335-23-5,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	261.136g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.321g/mol
Monoisotopic Mass	261.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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