3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one

C17H24N2O3 — CID 56793240

IUPAC3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(CC2CN(c3ccccc3)C(=O)O2)CC(C)(C)O1
InChIInChI=1S/C17H24N2O3/c1-13-9-18(12-17(2,3)22-13)10-15-11-19(16(20)21-15)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyHIWJSRJIKGXDIX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds3

About 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one

3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 56793240) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID56793240
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(CC2CN(c3ccccc3)C(=O)O2)CC(C)(C)O1
InChIInChI=1S/C17H24N2O3/c1-13-9-18(12-17(2,3)22-13)10-15-11-19(16(20)21-15)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyHIWJSRJIKGXDIX-UHFFFAOYSA-N
XLogP2.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one (CID 56793240) is 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one is CC1CN(CC2CN(c3ccccc3)C(=O)O2)CC(C)(C)O1.
What is the InChIKey of 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HIWJSRJIKGXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-9-18(12-17(2,3)22-13)10-15-11-19(16(20)21-15)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56793240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).