N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

C21H23FN2O4 — CID 40925353

IUPACN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C21H23FN2O4/c1-14(2)15-3-9-18(10-4-15)27-13-20(25)23-11-19-12-24(21(26)28-19)17-7-5-16(22)6-8-17/h3-10,14,19H,11-13H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyFGHUETFDCOTLLL-LJQANCHMSA-N
MW386.42 g/mol
LogP3.47
Rot. Bonds7

About N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 40925353) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID40925353
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C21H23FN2O4/c1-14(2)15-3-9-18(10-4-15)27-13-20(25)23-11-19-12-24(21(26)28-19)17-7-5-16(22)6-8-17/h3-10,14,19H,11-13H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyFGHUETFDCOTLLL-LJQANCHMSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16922152
N-[[(5S)-3-(3,4-dimethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40940915
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16920833
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7563716
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenoxyacetamide
CID 110327784
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
CID 110328241
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanamide
CID 16921301

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 40925353) is N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1.
What is the InChIKey of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is FGHUETFDCOTLLL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-14(2)15-3-9-18(10-4-15)27-13-20(25)23-11-19-12-24(21(26)28-19)17-7-5-16(22)6-8-17/h3-10,14,19H,11-13H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 386.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 40925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).