N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

C23H26FN3O5Si — CID 140781121

IUPACN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C23H26FN3O5Si/c1-27(23(30)18-13-20(28)26-32-18)21(14-6-9-16(31-2)10-7-14)22(29)25-15-8-11-19(17(24)12-15)33(3,4)5/h6-13,21H,1-5H3,(H,25,29)(H,26,28)
InChIKeyAKSPQURKNJBORC-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 140781121) has the molecular formula C23H26FN3O5Si and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID140781121
Molecular FormulaC23H26FN3O5Si
Molecular Weight471.56 g/mol
Exact Mass471.16
IUPAC NameN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C23H26FN3O5Si/c1-27(23(30)18-13-20(28)26-32-18)21(14-6-9-16(31-2)10-7-14)22(29)25-15-8-11-19(17(24)12-15)33(3,4)5/h6-13,21H,1-5H3,(H,25,29)(H,26,28)
InChIKeyAKSPQURKNJBORC-UHFFFAOYSA-N
XLogP3.11
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-fluoro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 156566353
N-[2-[3-chloro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 129055229
N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781253
N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781189
N-[1-[4-(3-methoxypropoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781375
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
CID 140781149
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 140781112
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125465615

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (CID 140781121) is N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(=O)[nH]o2)cc1.
What is the InChIKey of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is AKSPQURKNJBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5Si/c1-27(23(30)18-13-20(28)26-32-18)21(14-6-9-16(31-2)10-7-14)22(29)25-15-8-11-19(17(24)12-15)33(3,4)5/h6-13,21H,1-5H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140781121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).