N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide

C23H27N3O5Si — CID 158706491

IUPACN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cc2noc(=O)[nH]2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H27N3O5Si/c1-30-17-9-7-16(8-10-17)22(25-21(28)14-20-24-23(29)31-26-20)19(27)13-15-5-11-18(12-6-15)32(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,25,28)(H,24,26,29)
InChIKeyIIEGECSSXDUMCL-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.13
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide

N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 158706491) has the molecular formula C23H27N3O5Si and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID158706491
Molecular FormulaC23H27N3O5Si
Molecular Weight453.57 g/mol
Exact Mass453.17
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cc2noc(=O)[nH]2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H27N3O5Si/c1-30-17-9-7-16(8-10-17)22(25-21(28)14-20-24-23(29)31-26-20)19(27)13-15-5-11-18(12-6-15)32(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,25,28)(H,24,26,29)
InChIKeyIIEGECSSXDUMCL-UHFFFAOYSA-N
XLogP2.13
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
CID 159432139
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 137280112
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide (CID 158706491) is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide is COc1ccc(C(NC(=O)Cc2noc(=O)[nH]2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is IIEGECSSXDUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5Si/c1-30-17-9-7-16(8-10-17)22(25-21(28)14-20-24-23(29)31-26-20)19(27)13-15-5-11-18(12-6-15)32(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,25,28)(H,24,26,29).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide?
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 453.57 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 158706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).