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406934-09-6 | 2-Oxazolidinone, 5-(hydroxymethyl)-3-(1H-pyrrol-1-yl)-, (5R)-
CAS No: 406934-09-6 Catalog No: AG0075LY MDL No:
Product Description
Catalog Number:
AG0075LY
Chemical Name:
2-Oxazolidinone, 5-(hydroxymethyl)-3-(1H-pyrrol-1-yl)-, (5R)-
CAS Number:
406934-09-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m1/s1
InChI Key:
SITMGBVDSOSSTH-SSDOTTSWSA-N
SMILES:
OC[C@H]1CN(C(=O)O1)n1cccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| 3-(1H-Pyrrol-1-yl)-2-oxazolidinones as reversible, highly potent, and selective inhibitors of monoamine oxidase type A. | Journal of medicinal chemistry 20020314 |
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