[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid

C20H26FN3O8 — CID 166680319

IUPAC[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid
SMILESCC(C)(C)OC(=O)ON(CC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)O
InChIInChI=1S/C20H26FN3O8/c1-20(2,3)31-19(28)32-24(17(25)26)12-14-11-23(18(27)30-14)13-4-5-16(15(21)10-13)22-6-8-29-9-7-22/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,25,26)
InChIKeyCPVQRWOEOZDVDY-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.83
Rot. Bonds4

About [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid

[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid (PubChem CID 166680319) has the molecular formula C20H26FN3O8 and a molecular weight of 455.44 g/mol. Its IUPAC name is [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid.

Molecular Properties

Compound Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid
PubChem CID166680319
Molecular FormulaC20H26FN3O8
Molecular Weight455.44 g/mol
Exact Mass455.17
IUPAC Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid
SMILESCC(C)(C)OC(=O)ON(CC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)O
InChIInChI=1S/C20H26FN3O8/c1-20(2,3)31-19(28)32-24(17(25)26)12-14-11-23(18(27)30-14)13-4-5-16(15(21)10-13)22-6-8-29-9-7-22/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,25,26)
InChIKeyCPVQRWOEOZDVDY-UHFFFAOYSA-N
XLogP2.83
TPSA118.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118329907
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxypentanamide
CID 162459116
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-sulfanylformamide
CID 87931203
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid?
The IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid (CID 166680319) is [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid.
What is the SMILES notation for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid?
The canonical SMILES for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid is CC(C)(C)OC(=O)ON(CC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)O.
What is the InChIKey of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid?
The InChIKey is CPVQRWOEOZDVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O8/c1-20(2,3)31-19(28)32-24(17(25)26)12-14-11-23(18(27)30-14)13-4-5-16(15(21)10-13)22-6-8-29-9-7-22/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,25,26).
What are the key properties of [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid?
[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid has a molecular weight of 455.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid is sourced from PubChem (CID 166680319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).