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

C20H17F6N3O4 — CID 129273449

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cccnc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C20H17F6N3O4/c1-10-16(11-6-12(19(21,22)23)8-13(7-11)20(24,25)26)33-18(31)29(10)17(30)28-9-14-15(32-2)4-3-5-27-14/h3-8,10,16H,9H2,1-2H3,(H,28,30)/t10-,16-/m0/s1
InChIKeyQLVOKTMJIBJQDR-QFYYESIMSA-N
MW477.36 g/mol
LogP4.92
Rot. Bonds4

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

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273449) has the molecular formula C20H17F6N3O4 and a molecular weight of 477.36 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273449
Molecular FormulaC20H17F6N3O4
Molecular Weight477.36 g/mol
Exact Mass477.11
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cccnc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C20H17F6N3O4/c1-10-16(11-6-12(19(21,22)23)8-13(7-11)20(24,25)26)33-18(31)29(10)17(30)28-9-14-15(32-2)4-3-5-27-14/h3-8,10,16H,9H2,1-2H3,(H,28,30)/t10-,16-/m0/s1
InChIKeyQLVOKTMJIBJQDR-QFYYESIMSA-N
XLogP4.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273449) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is COc1cccnc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is QLVOKTMJIBJQDR-QFYYESIMSA-N. The full InChI is InChI=1S/C20H17F6N3O4/c1-10-16(11-6-12(19(21,22)23)8-13(7-11)20(24,25)26)33-18(31)29(10)17(30)28-9-14-15(32-2)4-3-5-27-14/h3-8,10,16H,9H2,1-2H3,(H,28,30)/t10-,16-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methoxy-2-pyridinyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).