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189940-28-1 | 2-Oxazolidinone, 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-5-methyl-, (5S)-
CAS No: 189940-28-1 Catalog No: AG002E5Z MDL No:
Product Description
Catalog Number:
AG002E5Z
Chemical Name:
2-Oxazolidinone, 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-5-methyl-, (5S)-
CAS Number:
189940-28-1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C16H21NO4/c1-16(10-17-15(18)21-16)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,18)/t16-/m1/s1
InChI Key:
YPHLLMSSGKXHKR-MRXNPFEDSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)[C@@]1(C)CNC(=O)O1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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