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

C22H25N3O5Si — CID 140781371

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O5Si/c1-29-16-9-5-14(6-10-16)20(24-21(27)18-13-19(26)25-30-18)22(28)23-15-7-11-17(12-8-15)31(2,3)4/h5-13,20H,1-4H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyFQIZZYVUDXQVLZ-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.63
Rot. Bonds7

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

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 140781371) has the molecular formula C22H25N3O5Si and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID140781371
Molecular FormulaC22H25N3O5Si
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O5Si/c1-29-16-9-5-14(6-10-16)20(24-21(27)18-13-19(26)25-30-18)22(28)23-15-7-11-17(12-8-15)31(2,3)4/h5-13,20H,1-4H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyFQIZZYVUDXQVLZ-UHFFFAOYSA-N
XLogP2.63
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-[1-[4-(3-methoxypropoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781375
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395
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-[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
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
CID 140781282

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide (CID 140781371) is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide is COc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is FQIZZYVUDXQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5Si/c1-29-16-9-5-14(6-10-16)20(24-21(27)18-13-19(26)25-30-18)22(28)23-15-7-11-17(12-8-15)31(2,3)4/h5-13,20H,1-4H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140781371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).