[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

C19H23N3O6 — CID 16603098

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C19H23N3O6/c1-12-8-22(9-13(2)27-12)18(23)11-26-19(24)15-4-6-16(7-5-15)25-10-17-20-14(3)28-21-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyPFZQDFSXJXXJTH-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.75
Rot. Bonds6

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (PubChem CID 16603098) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
PubChem CID16603098
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C19H23N3O6/c1-12-8-22(9-13(2)27-12)18(23)11-26-19(24)15-4-6-16(7-5-15)25-10-17-20-14(3)28-21-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyPFZQDFSXJXXJTH-UHFFFAOYSA-N
XLogP1.75
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (CID 16603098) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)cc2)no1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The InChIKey is PFZQDFSXJXXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-12-8-22(9-13(2)27-12)18(23)11-26-19(24)15-4-6-16(7-5-15)25-10-17-20-14(3)28-21-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate has a molecular weight of 389.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 16603098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).