(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one

C22H21F4N3O4 — CID 129248991

IUPAC(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(n1)N(CCC(=O)N1C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]1C)CCO2
InChIInChI=1S/C22H21F4N3O4/c1-12-3-4-17-20(27-12)28(7-8-32-17)6-5-18(30)29-13(2)19(33-21(29)31)14-9-15(22(24,25)26)11-16(23)10-14/h3-4,9-11,13,19H,5-8H2,1-2H3/t13-,19-/m0/s1
InChIKeyFIJVUPDPGAZWSS-DJJJIMSYSA-N
MW467.42 g/mol
LogP4.25
Rot. Bonds4

About (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 129248991) has the molecular formula C22H21F4N3O4 and a molecular weight of 467.42 g/mol. Its IUPAC name is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID129248991
Molecular FormulaC22H21F4N3O4
Molecular Weight467.42 g/mol
Exact Mass467.15
IUPAC Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(n1)N(CCC(=O)N1C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]1C)CCO2
InChIInChI=1S/C22H21F4N3O4/c1-12-3-4-17-20(27-12)28(7-8-32-17)6-5-18(30)29-13(2)19(33-21(29)31)14-9-15(22(24,25)26)11-16(23)10-14/h3-4,9-11,13,19H,5-8H2,1-2H3/t13-,19-/m0/s1
InChIKeyFIJVUPDPGAZWSS-DJJJIMSYSA-N
XLogP4.25
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one (CID 129248991) is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one is Cc1ccc2c(n1)N(CCC(=O)N1C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]1C)CCO2.
What is the InChIKey of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FIJVUPDPGAZWSS-DJJJIMSYSA-N. The full InChI is InChI=1S/C22H21F4N3O4/c1-12-3-4-17-20(27-12)28(7-8-32-17)6-5-18(30)29-13(2)19(33-21(29)31)14-9-15(22(24,25)26)11-16(23)10-14/h3-4,9-11,13,19H,5-8H2,1-2H3/t13-,19-/m0/s1.
What are the key properties of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 467.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[3-(6-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129248991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).