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

C24H29N3O5Si — CID 140781253

IUPACN-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1C
InChIInChI=1S/C24H29N3O5Si/c1-15-13-16(7-12-19(15)31-3)22(27(2)24(30)20-14-21(28)26-32-20)23(29)25-17-8-10-18(11-9-17)33(4,5)6/h7-14,22H,1-6H3,(H,25,29)(H,26,28)
InChIKeyYUIFTPALBGNIRU-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.28
Rot. Bonds7

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

N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 140781253) has the molecular formula C24H29N3O5Si and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID140781253
Molecular FormulaC24H29N3O5Si
Molecular Weight467.60 g/mol
Exact Mass467.19
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1C
InChIInChI=1S/C24H29N3O5Si/c1-15-13-16(7-12-19(15)31-3)22(27(2)24(30)20-14-21(28)26-32-20)23(29)25-17-8-10-18(11-9-17)33(4,5)6/h7-14,22H,1-6H3,(H,25,29)(H,26,28)
InChIKeyYUIFTPALBGNIRU-UHFFFAOYSA-N
XLogP3.28
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.28
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-[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-(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-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
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
3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
CID 174064329
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781408
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylgermylphenyl)propyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 148782194
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (CID 140781253) is N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2cc(=O)[nH]o2)cc1C.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is YUIFTPALBGNIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5Si/c1-15-13-16(7-12-19(15)31-3)22(27(2)24(30)20-14-21(28)26-32-20)23(29)25-17-8-10-18(11-9-17)33(4,5)6/h7-14,22H,1-6H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?
N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140781253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).