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

C20H18F4N2O3 — CID 129273620

IUPAC(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)N1C(=O)O[C@H](c2cc(F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C20H18F4N2O3/c1-11-5-3-4-6-13(11)10-25-18(27)26-12(2)17(29-19(26)28)14-7-15(20(22,23)24)9-16(21)8-14/h3-9,12,17H,10H2,1-2H3,(H,25,27)/t12-,17-/m0/s1
InChIKeyWDHLYDNSTWXZLM-SJCJKPOMSA-N
MW410.37 g/mol
LogP4.94
Rot. Bonds3

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

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273620) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273620
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)N1C(=O)O[C@H](c2cc(F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C20H18F4N2O3/c1-11-5-3-4-6-13(11)10-25-18(27)26-12(2)17(29-19(26)28)14-7-15(20(22,23)24)9-16(21)8-14/h3-9,12,17H,10H2,1-2H3,(H,25,27)/t12-,17-/m0/s1
InChIKeyWDHLYDNSTWXZLM-SJCJKPOMSA-N
XLogP4.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273620) is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is Cc1ccccc1CNC(=O)N1C(=O)O[C@H](c2cc(F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is WDHLYDNSTWXZLM-SJCJKPOMSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c1-11-5-3-4-6-13(11)10-25-18(27)26-12(2)17(29-19(26)28)14-7-15(20(22,23)24)9-16(21)8-14/h3-9,12,17H,10H2,1-2H3,(H,25,27)/t12-,17-/m0/s1.
What are the key properties of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).