[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C27H33N3O4Si — CID 22242819

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)co2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O4Si/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-21-18-30(19-21)26-28-24(20-33-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3
InChIKeyLYBSVMKDGMCALA-UHFFFAOYSA-N
MW491.66 g/mol
LogP2.91
Rot. Bonds6

About [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 22242819) has the molecular formula C27H33N3O4Si and a molecular weight of 491.66 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID22242819
Molecular FormulaC27H33N3O4Si
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)co2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O4Si/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-21-18-30(19-21)26-28-24(20-33-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3
InChIKeyLYBSVMKDGMCALA-UHFFFAOYSA-N
XLogP2.91
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 22243029
[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 173183428
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[1-[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]azetidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 11532781
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
CID 167381101
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275

Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 22242819) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)co2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LYBSVMKDGMCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4Si/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-21-18-30(19-21)26-28-24(20-33-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 491.66 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22242819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).