N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide

C23H25ClN2O5Si — CID 159677319

IUPACN-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Cc2ccc([Si](C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C23H25ClN2O5Si/c1-30-16-8-6-15(7-9-16)22(25-23(29)19-13-21(28)26-31-19)18(27)12-14-5-10-20(17(24)11-14)32(2,3)4/h5-11,13,22H,12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyMUTOGPSSFJEGLQ-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.46
Rot. Bonds8

About N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide

N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 159677319) has the molecular formula C23H25ClN2O5Si and a molecular weight of 473.00 g/mol. Its IUPAC name is N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID159677319
Molecular FormulaC23H25ClN2O5Si
Molecular Weight473.00 g/mol
Exact Mass472.12
IUPAC NameN-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Cc2ccc([Si](C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C23H25ClN2O5Si/c1-30-16-8-6-15(7-9-16)22(25-23(29)19-13-21(28)26-31-19)18(27)12-14-5-10-20(17(24)11-14)32(2,3)4/h5-11,13,22H,12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyMUTOGPSSFJEGLQ-UHFFFAOYSA-N
XLogP3.46
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.46
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-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylgermylphenyl)propyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 148782194
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
CID 159432139
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-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
CID 158706491
2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257
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
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
CID 152977183

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide (CID 159677319) is N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide is COc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Cc2ccc([Si](C)(C)C)c(Cl)c2)cc1.
What is the InChIKey of N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is MUTOGPSSFJEGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5Si/c1-30-16-8-6-15(7-9-16)22(25-23(29)19-13-21(28)26-31-19)18(27)12-14-5-10-20(17(24)11-14)32(2,3)4/h5-11,13,22H,12H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide?
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 159677319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).