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

C20H17F6N3O5 — CID 129273432

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccncc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO
InChIInChI=1S/C20H17F6N3O5/c1-33-15-2-3-27-7-11(15)8-28-17(31)29-14(9-30)16(34-18(29)32)10-4-12(19(21,22)23)6-13(5-10)20(24,25)26/h2-7,14,16,30H,8-9H2,1H3,(H,28,31)/t14-,16+/m0/s1
InChIKeyQNNOOANHWPEHRW-GOEBONIOSA-N
MW493.36 g/mol
LogP3.89
Rot. Bonds5

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

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273432) has the molecular formula C20H17F6N3O5 and a molecular weight of 493.36 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273432
Molecular FormulaC20H17F6N3O5
Molecular Weight493.36 g/mol
Exact Mass493.11
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccncc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO
InChIInChI=1S/C20H17F6N3O5/c1-33-15-2-3-27-7-11(15)8-28-17(31)29-14(9-30)16(34-18(29)32)10-4-12(19(21,22)23)6-13(5-10)20(24,25)26/h2-7,14,16,30H,8-9H2,1H3,(H,28,31)/t14-,16+/m0/s1
InChIKeyQNNOOANHWPEHRW-GOEBONIOSA-N
XLogP3.89
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273432) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is COc1ccncc1CNC(=O)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is QNNOOANHWPEHRW-GOEBONIOSA-N. The full InChI is InChI=1S/C20H17F6N3O5/c1-33-15-2-3-27-7-11(15)8-28-17(31)29-14(9-30)16(34-18(29)32)10-4-12(19(21,22)23)6-13(5-10)20(24,25)26/h2-7,14,16,30H,8-9H2,1H3,(H,28,31)/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 493.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-[(4-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).