N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

C24H27F3N5O9P — CID 144908609

IUPACN-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
SMILESC=C/C(=N\OC)N(CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)P(=O)(O)OC(=O)N1CCOCC1
InChIInChI=1S/C24H27F3N5O9P/c1-3-19(28-38-2)32(42(36,37)41-23(34)30-8-10-39-11-9-30)14-16-13-31(24(35)40-16)18-12-17(25)22(21(27)20(18)26)29-6-4-15(33)5-7-29/h3-4,6,12,16H,1,5,7-11,13-14H2,2H3,(H,36,37)/b28-19+
InChIKeyQOJOWDQUUZHVIL-TURZUDJPSA-N
MW617.47 g/mol
LogP2.74
Rot. Bonds8

About N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (PubChem CID 144908609) has the molecular formula C24H27F3N5O9P and a molecular weight of 617.47 g/mol. Its IUPAC name is N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

Molecular Properties

Compound NameN-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
PubChem CID144908609
Molecular FormulaC24H27F3N5O9P
Molecular Weight617.47 g/mol
Exact Mass617.15
IUPAC NameN-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
SMILESC=C/C(=N\OC)N(CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)P(=O)(O)OC(=O)N1CCOCC1
InChIInChI=1S/C24H27F3N5O9P/c1-3-19(28-38-2)32(42(36,37)41-23(34)30-8-10-39-11-9-30)14-16-13-31(24(35)40-16)18-12-17(25)22(21(27)20(18)26)29-6-4-15(33)5-7-29/h3-4,6,12,16H,1,5,7-11,13-14H2,2H3,(H,36,37)/b28-19+
InChIKeyQOJOWDQUUZHVIL-TURZUDJPSA-N
XLogP2.74
TPSA150.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118335842
methylcarbamoyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 123679482
methyl N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamimidate
CID 163756480
(5R)-5-(nitrosomethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118336136
3-oxo-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]butanimidamide
CID 91425986
(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen
CID 143760547
N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 91024308
3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70866084
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-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25184391
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
(5S)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
CID 158892480

Frequently Asked Questions

What is the IUPAC name of N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The IUPAC name of N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (CID 144908609) is N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.
What is the SMILES notation for N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The canonical SMILES for N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is C=C/C(=N\OC)N(CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)P(=O)(O)OC(=O)N1CCOCC1.
What is the InChIKey of N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
The InChIKey is QOJOWDQUUZHVIL-TURZUDJPSA-N. The full InChI is InChI=1S/C24H27F3N5O9P/c1-3-19(28-38-2)32(42(36,37)41-23(34)30-8-10-39-11-9-30)14-16-13-31(24(35)40-16)18-12-17(25)22(21(27)20(18)26)29-6-4-15(33)5-7-29/h3-4,6,12,16H,1,5,7-11,13-14H2,2H3,(H,36,37)/b28-19+.
What are the key properties of N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?
N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid has a molecular weight of 617.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is sourced from PubChem (CID 144908609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).