3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C23H29FN4O5Si — CID 57128428

IUPAC3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)cn1
InChIInChI=1S/C23H29FN4O5Si/c1-23(2,3)34(4,5)32-13-16-11-27(15-25-16)20-7-6-17(10-19(20)24)28-12-18(33-22(28)29)14-30-21-8-9-31-26-21/h6-11,15,18H,12-14H2,1-5H3
InChIKeyIAKZNZDGAXCLPX-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.93
Rot. Bonds8

About 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 57128428) has the molecular formula C23H29FN4O5Si and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID57128428
Molecular FormulaC23H29FN4O5Si
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)cn1
InChIInChI=1S/C23H29FN4O5Si/c1-23(2,3)34(4,5)32-13-16-11-27(15-25-16)20-7-6-17(10-19(20)24)28-12-18(33-22(28)29)14-30-21-8-9-31-26-21/h6-11,15,18H,12-14H2,1-5H3
InChIKeyIAKZNZDGAXCLPX-UHFFFAOYSA-N
XLogP4.93
TPSA91.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18378824
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 22996047
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57195364
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674
N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68773740
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
CID 70209131
[(5R)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-iminoazanium
CID 142276605
5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 86648044
N-[[3-[3-fluoro-4-[4-[(pyrimidin-2-ylamino)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340258
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 57128428) is 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCc1cn(-c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)cn1.
What is the InChIKey of 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is IAKZNZDGAXCLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5Si/c1-23(2,3)34(4,5)32-13-16-11-27(15-25-16)20-7-6-17(10-19(20)24)28-12-18(33-22(28)29)14-30-21-8-9-31-26-21/h6-11,15,18H,12-14H2,1-5H3.
What are the key properties of 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 488.59 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57128428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).