(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one

C21H21FN2O4 — CID 497370

IUPAC(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(4-methyl-2-pyridinyl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC1=CC(=NC=C1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F
InChIInChI=1S/C21H21FN2O4/c1-14-4-7-23-20(10-14)27-13-17-12-24(21(25)28-17)16-2-3-18(19(22)11-16)15-5-8-26-9-6-15/h2-5,7,10-11,17H,6,8-9,12-13H2,1H3/t17-/m1/s1
InChIKeyUEUUFSPJVGKYAA-QGZVFWFLSA-N
MW384.40 g/mol
LogP2.90
Rot. Bonds5

About (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one

(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one (PubChem CID 497370) has the molecular formula C21H21FN2O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(4-methyl-2-pyridinyl)oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one
PubChem CID497370
Molecular FormulaC21H21FN2O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(4-methyl-2-pyridinyl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC1=CC(=NC=C1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F
InChIInChI=1S/C21H21FN2O4/c1-14-4-7-23-20(10-14)27-13-17-12-24(21(25)28-17)16-2-3-18(19(22)11-16)15-5-8-26-9-6-15/h2-5,7,10-11,17H,6,8-9,12-13H2,1H3/t17-/m1/s1
InChIKeyUEUUFSPJVGKYAA-QGZVFWFLSA-N
XLogP2.90
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity587

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one with MolForge

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Related Compounds

N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
N-(6-fluoro-4-phenoxypyridin-3-yl)-N-(2-methoxybenzyl)acetamide
CID 56671767
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635513
Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635516
(2-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23636021
(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
N-[[2-(2-fluoroethoxy)-3-pyridinyl]methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029252
N-[[2-(2-Fluoroethoxy)phenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 58029262
[6-(3,5-difluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] N,N-diethylcarbamate
CID 11015097
(R)-3-((6-(2-fluoro-4-(trifluoromethoxy)phenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591794
2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 70695164

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one (CID 497370) is (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(4-methyl-2-pyridinyl)oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one is CC1=CC(=NC=C1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F.
What is the InChIKey of (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one?
The InChIKey is UEUUFSPJVGKYAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-14-4-7-23-20(10-14)27-13-17-12-24(21(25)28-17)16-2-3-18(19(22)11-16)15-5-8-26-9-6-15/h2-5,7,10-11,17H,6,8-9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one?
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one is sourced from PubChem (CID 497370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).