[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate

C18H25NO5Si — CID 162350991

IUPAC[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
SMILESCc1noc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1COC(=O)O
InChIInChI=1S/C18H25NO5Si/c1-12-15(11-22-17(20)21)16(23-19-12)13-7-9-14(10-8-13)24-25(5,6)18(2,3)4/h7-10H,11H2,1-6H3,(H,20,21)
InChIKeyHRZXRCAEDUNNMA-UHFFFAOYSA-N
MW363.49 g/mol
LogP5.23
Rot. Bonds5

About [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate

[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate (PubChem CID 162350991) has the molecular formula C18H25NO5Si and a molecular weight of 363.49 g/mol. Its IUPAC name is [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate.

Molecular Properties

Compound Name[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
PubChem CID162350991
Molecular FormulaC18H25NO5Si
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
SMILESCc1noc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1COC(=O)O
InChIInChI=1S/C18H25NO5Si/c1-12-15(11-22-17(20)21)16(23-19-12)13-7-9-14(10-8-13)24-25(5,6)18(2,3)4/h7-10H,11H2,1-6H3,(H,20,21)
InChIKeyHRZXRCAEDUNNMA-UHFFFAOYSA-N
XLogP5.23
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 55.23
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

3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl (4-nitrophenyl) carbonate
CID 154996526
methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610795
[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
CID 98017234
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
CID 141295959
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 141296063
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
CID 2744858
3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
CID 155415126
trans-(1S,3S)-3-[4-[4-[[2-cyclopropylethyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155180601

Frequently Asked Questions

What is the IUPAC name of [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate?
The IUPAC name of [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate (CID 162350991) is [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate.
What is the SMILES notation for [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate?
The canonical SMILES for [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate is Cc1noc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1COC(=O)O.
What is the InChIKey of [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate?
The InChIKey is HRZXRCAEDUNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5Si/c1-12-15(11-22-17(20)21)16(23-19-12)13-7-9-14(10-8-13)24-25(5,6)18(2,3)4/h7-10H,11H2,1-6H3,(H,20,21).
What are the key properties of [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate?
[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate has a molecular weight of 363.49 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate is sourced from PubChem (CID 162350991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).