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

C27H33N3O4Si — CID 173183428

IUPAC[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)C1CN(c2nc(C(=O)N3CCOCC3)co2)C1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O4Si/c1-27(2,3)22-18-30(26-28-23(19-33-26)24(31)29-14-16-32-17-15-29)25(22)34-35(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22,25,35H,14-18H2,1-3H3
InChIKeyCFMKDIATSXQRHT-UHFFFAOYSA-N
MW491.66 g/mol
LogP2.51
Rot. Bonds6

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

[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 173183428) has the molecular formula C27H33N3O4Si and a molecular weight of 491.66 g/mol. Its IUPAC name is [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID173183428
Molecular FormulaC27H33N3O4Si
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)C1CN(c2nc(C(=O)N3CCOCC3)co2)C1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O4Si/c1-27(2,3)22-18-30(26-28-23(19-33-26)24(31)29-14-16-32-17-15-29)25(22)34-35(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22,25,35H,14-18H2,1-3H3
InChIKeyCFMKDIATSXQRHT-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 173183428) is [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is CC(C)(C)C1CN(c2nc(C(=O)N3CCOCC3)co2)C1O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CFMKDIATSXQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4Si/c1-27(2,3)22-18-30(26-28-23(19-33-26)24(31)29-14-16-32-17-15-29)25(22)34-35(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22,25,35H,14-18H2,1-3H3.
What are the key properties of [2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 491.66 g/mol, XLogP of 2.51, 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-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 173183428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).