methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C17H25NO4Si — CID 102012082

IUPACmethyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(C(CCc2ccccc2)O[Si](C)(C)C)=NO1
InChIInChI=1S/C17H25NO4Si/c1-20-17(19)16-12-14(18-21-16)15(22-23(2,3)4)11-10-13-8-6-5-7-9-13/h5-9,15-16H,10-12H2,1-4H3
InChIKeyZMFGXSWFQCEZME-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.16
Rot. Bonds7

About methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 102012082) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID102012082
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Namemethyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(C(CCc2ccccc2)O[Si](C)(C)C)=NO1
InChIInChI=1S/C17H25NO4Si/c1-20-17(19)16-12-14(18-21-16)15(22-23(2,3)4)11-10-13-8-6-5-7-9-13/h5-9,15-16H,10-12H2,1-4H3
InChIKeyZMFGXSWFQCEZME-UHFFFAOYSA-N
XLogP3.16
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 14998593
methyl 3-(cyclopropylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 137407928
(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42457545
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
2-[4-(5-methoxycarbonyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]acetic acid
CID 15440082
ethyl 3-(5-phenylpentanoyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 15445660
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
CID 102467698
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 102012082) is methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1CC(C(CCc2ccccc2)O[Si](C)(C)C)=NO1.
What is the InChIKey of methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is ZMFGXSWFQCEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-20-17(19)16-12-14(18-21-16)15(22-23(2,3)4)11-10-13-8-6-5-7-9-13/h5-9,15-16H,10-12H2,1-4H3.
What are the key properties of methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 335.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 102012082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).