5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide

C24H30N2O3Si — CID 140846831

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CO[Si](C)(C)C(C)(C)C)o2)cccc1-c1ccccc1
InChIInChI=1S/C24H30N2O3Si/c1-17-20(18-11-8-7-9-12-18)13-10-14-21(17)26-22(27)23-25-15-19(29-23)16-28-30(5,6)24(2,3)4/h7-15H,16H2,1-6H3,(H,26,27)
InChIKeyWZCSEZCUCNXNMW-UHFFFAOYSA-N
MW422.60 g/mol
LogP6.42
Rot. Bonds6

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 140846831) has the molecular formula C24H30N2O3Si and a molecular weight of 422.60 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide
PubChem CID140846831
Molecular FormulaC24H30N2O3Si
Molecular Weight422.60 g/mol
Exact Mass422.20
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CO[Si](C)(C)C(C)(C)C)o2)cccc1-c1ccccc1
InChIInChI=1S/C24H30N2O3Si/c1-17-20(18-11-8-7-9-12-18)13-10-14-21(17)26-22(27)23-25-15-19(29-23)16-28-30(5,6)24(2,3)4/h7-15H,16H2,1-6H3,(H,26,27)
InChIKeyWZCSEZCUCNXNMW-UHFFFAOYSA-N
XLogP6.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide
CID 171489763
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
CID 129240369
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
CID 175846923
1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
CID 175846872
3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240355
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108
[4-(2-methyl-3-phenylanilino)-4-oxobutyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]phosphinic acid
CID 69301318
4-(cyclopropylmethoxy)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240421
methyl (2S)-3-hydroxy-2-[[6-[[3-[3-[[5-[[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]methyl]-4-methylpyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-methyl-3-pyridinyl]methylamino]propanoate
CID 153331921
2-[[6-[[3-[3-[4-[[(2-carboxy-1-hydroxypropan-2-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 155379349

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide (CID 140846831) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide is Cc1c(NC(=O)c2ncc(CO[Si](C)(C)C(C)(C)C)o2)cccc1-c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is WZCSEZCUCNXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3Si/c1-17-20(18-11-8-7-9-12-18)13-10-14-21(17)26-22(27)23-25-15-19(29-23)16-28-30(5,6)24(2,3)4/h7-15H,16H2,1-6H3,(H,26,27).
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 140846831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).