N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

C21H29FN3O8P — CID 118329907

IUPACN-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
SMILESCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)P(=O)(O)OC(=O)C(C)(C)C
InChIInChI=1S/C21H29FN3O8P/c1-14(26)25(34(29,30)33-19(27)21(2,3)4)13-16-12-24(20(28)32-16)15-5-6-18(17(22)11-15)23-7-9-31-10-8-23/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,29,30)/t16-/m1/s1
InChIKeyNHTMGBFMCKRWPE-MRXNPFEDSA-N
MW501.45 g/mol
LogP2.53
Rot. Bonds6

About N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (PubChem CID 118329907) has the molecular formula C21H29FN3O8P and a molecular weight of 501.45 g/mol. Its IUPAC name is N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

Molecular Properties

Compound NameN-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
PubChem CID118329907
Molecular FormulaC21H29FN3O8P
Molecular Weight501.45 g/mol
Exact Mass501.17
IUPAC NameN-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
SMILESCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)P(=O)(O)OC(=O)C(C)(C)C
InChIInChI=1S/C21H29FN3O8P/c1-14(26)25(34(29,30)33-19(27)21(2,3)4)13-16-12-24(20(28)32-16)15-5-6-18(17(22)11-15)23-7-9-31-10-8-23/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,29,30)/t16-/m1/s1
InChIKeyNHTMGBFMCKRWPE-MRXNPFEDSA-N
XLogP2.53
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 52.53
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': 'phosphor', 'substructure': 'N/A'}

Analyze N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118331324
[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid
CID 166680319
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
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
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
[acetyl-[[3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]phosphonic acid
CID 123472695
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-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide
CID 59905855

Frequently Asked Questions

What is the IUPAC name of N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The IUPAC name of 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) is N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.
What is the SMILES notation for N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The canonical SMILES for N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is CC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)P(=O)(O)OC(=O)C(C)(C)C.
What is the InChIKey of N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The InChIKey is NHTMGBFMCKRWPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29FN3O8P/c1-14(26)25(34(29,30)33-19(27)21(2,3)4)13-16-12-24(20(28)32-16)15-5-6-18(17(22)11-15)23-7-9-31-10-8-23/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,29,30)/t16-/m1/s1.
What are the key properties of N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid has a molecular weight of 501.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is sourced from PubChem (CID 118329907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).