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

C23H27N3O4Si — CID 140781127

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccno2)cc1
InChIInChI=1S/C23H27N3O4Si/c1-26(23(28)20-14-15-24-30-20)21(16-6-10-18(29-2)11-7-16)22(27)25-17-8-12-19(13-9-17)31(3,4)5/h6-15,21H,1-5H3,(H,25,27)
InChIKeyJZZRQBXIEBVCRJ-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.68
Rot. Bonds7

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

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 140781127) has the molecular formula C23H27N3O4Si and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID140781127
Molecular FormulaC23H27N3O4Si
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccno2)cc1
InChIInChI=1S/C23H27N3O4Si/c1-26(23(28)20-14-15-24-30-20)21(16-6-10-18(29-2)11-7-16)22(27)25-17-8-12-19(13-9-17)31(3,4)5/h6-15,21H,1-5H3,(H,25,27)
InChIKeyJZZRQBXIEBVCRJ-UHFFFAOYSA-N
XLogP3.68
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639666
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 121316758
3-(4-methoxyphenyl)-N-phenyl-5-isoxazolecarboxamide
CID 2769299
Isoxazole-5-carboxylic acid [cyclohexylcarbamoyl-(3,5-dimethoxy-phenyl)-methyl]-phenyl-amide
CID 3207863
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-1,2-oxazole-5-carboxamide
CID 16745795
N-[(2S)-1-[[(2S,3S)-1-[(2-butan-2-yloxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 71511553
N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2769301
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 71499167
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 118473375
N-[2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]-1,2-oxazole-5-carboxamide
CID 122362796
2-[benzyl(methyl)amino]-N-{[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}acetamide
CID 1480149
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide (CID 140781127) is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccno2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JZZRQBXIEBVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4Si/c1-26(23(28)20-14-15-24-30-20)21(16-6-10-18(29-2)11-7-16)22(27)25-17-8-12-19(13-9-17)31(3,4)5/h6-15,21H,1-5H3,(H,25,27).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 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]-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140781127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).