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SL251188 10mg

CAT: 0628-A11777-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11777-10Size:10 mg
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CAS Number
185835-97-6

Chemical Information

(5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one
CAS Number185835-97-6
PubChem CID9799696
IUPAC Name(5S)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
Molecular FormulaC16H17F3N2O5
Molecular Weight374.31
XLogP3.3
Topological Polar Surface Area74
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
COC[C@@H]1CN(C(=O)O1)C2=NOC3=C2C=CC(=C3)OCCCC(F)(F)F
InChI
InChI=1S/C16H17F3N2O5/c1-23-9-11-8-21(15(22)25-11)14-12-4-3-10(7-13(12)26-20-14)24-6-2-5-16(17,18)19/h3-4,7,11H,2,5-6,8-9H2,1H3/t11-/m0/s1
InChIKey
SQMNCLANJWZZOG-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one
CAS: 185835-97-6
CID: 9799696
Formula: C16H17F3N2O5
MW: 374.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.31
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass374.10895613
Monoisotopic Mass374.10895613
Topological Polar Surface Area74 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes