(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C19H17F3N4O4 — CID 56928407

IUPAC(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)c(F)c3F)cn2)C1=O
InChIInChI=1S/C19H17F3N4O4/c1-24-4-5-25(18(24)28)14-3-2-10(7-23-14)15-12(20)6-13(16(21)17(15)22)26-8-11(9-27)30-19(26)29/h2-3,6-7,11,27H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyVUIYZOGYMSKIJA-LLVKDONJSA-N
MW422.36 g/mol
LogP2.36
Rot. Bonds4

About (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 56928407) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID56928407
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)c(F)c3F)cn2)C1=O
InChIInChI=1S/C19H17F3N4O4/c1-24-4-5-25(18(24)28)14-3-2-10(7-23-14)15-12(20)6-13(16(21)17(15)22)26-8-11(9-27)30-19(26)29/h2-3,6-7,11,27H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyVUIYZOGYMSKIJA-LLVKDONJSA-N
XLogP2.36
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Tedizolid
CID 11234049
(5R)-3-(3-fluoro-4-pyridin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168292806
US9434719, 320 as TFA salt
CID 118121700
(5R)-3-(3-Fluoro-4-(6-(1-methyl-1H-tetrazol-5-yl)-3-pyridinyl)phenyl)-5-(hydroxymethyl)-2-oxazolidinone
CID 11303193
(5R)-3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168271988
(5R)-3-[3-fluoro-4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one chloride
CID 168275127
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168276237
(5R)-3-[3-fluoro-4-(2-pyrrolidin-1-yl-4-pyridinyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168288993
(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56924762
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
(5R)-3-[2,3-difluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 57582292
(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 70810517

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 56928407) is (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is CN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)c(F)c3F)cn2)C1=O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VUIYZOGYMSKIJA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-24-4-5-25(18(24)28)14-3-2-10(7-23-14)15-12(20)6-13(16(21)17(15)22)26-8-11(9-27)30-19(26)29/h2-3,6-7,11,27H,4-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 422.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56928407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).