(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

C22H23F4N3O3 — CID 129273624

IUPAC(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C22H23F4N3O3/c1-13-19(16-8-17(22(24,25)26)10-18(23)9-16)32-21(31)29(13)20(30)27-11-14-6-4-5-7-15(14)12-28(2)3/h4-10,13,19H,11-12H2,1-3H3,(H,27,30)/t13-,19-/m0/s1
InChIKeyOJDZKRHBIVKJNB-DJJJIMSYSA-N
MW453.44 g/mol
LogP4.70
Rot. Bonds5

About (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273624) has the molecular formula C22H23F4N3O3 and a molecular weight of 453.44 g/mol. Its IUPAC name is (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273624
Molecular FormulaC22H23F4N3O3
Molecular Weight453.44 g/mol
Exact Mass453.17
IUPAC Name(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C22H23F4N3O3/c1-13-19(16-8-17(22(24,25)26)10-18(23)9-16)32-21(31)29(13)20(30)27-11-14-6-4-5-7-15(14)12-28(2)3/h4-10,13,19H,11-12H2,1-3H3,(H,27,30)/t13-,19-/m0/s1
InChIKeyOJDZKRHBIVKJNB-DJJJIMSYSA-N
XLogP4.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Related Compounds

Snap-7915
CID 9830741
2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 10164354
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(piperidin-4-yl)imidazolidin-2-one
CID 10231172
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 10296442
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)imidazolidin-2-one
CID 10311496
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
CID 22960738
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-methyl-4-phenylimidazolidin-2-one
CID 44407938
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408107
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-methylpyrrolidine-1-carboxamide
CID 44444658
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-ethyl-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 44444664
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-isopropylpyrrolidine-1-carboxamide
CID 44444666
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-tert-butyl-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 44444669

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273624) is (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is C[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is OJDZKRHBIVKJNB-DJJJIMSYSA-N. The full InChI is InChI=1S/C22H23F4N3O3/c1-13-19(16-8-17(22(24,25)26)10-18(23)9-16)32-21(31)29(13)20(30)27-11-14-6-4-5-7-15(14)12-28(2)3/h4-10,13,19H,11-12H2,1-3H3,(H,27,30)/t13-,19-/m0/s1.
What are the key properties of (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 453.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).