4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C13H23N3O3 — CID 128978245

IUPAC4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCc1nnc(CN2CC(COC)OC(C)(C)C2)o1
InChIInChI=1S/C13H23N3O3/c1-5-11-14-15-12(18-11)7-16-6-10(8-17-4)19-13(2,3)9-16/h10H,5-9H2,1-4H3
InChIKeyYWHBGGFGLXLSPA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.26
Rot. Bonds5

About 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 128978245) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID128978245
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCCc1nnc(CN2CC(COC)OC(C)(C)C2)o1
InChIInChI=1S/C13H23N3O3/c1-5-11-14-15-12(18-11)7-16-6-10(8-17-4)19-13(2,3)9-16/h10H,5-9H2,1-4H3
InChIKeyYWHBGGFGLXLSPA-UHFFFAOYSA-N
XLogP1.26
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 128978245) is 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is CCc1nnc(CN2CC(COC)OC(C)(C)C2)o1.
What is the InChIKey of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is YWHBGGFGLXLSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-11-14-15-12(18-11)7-16-6-10(8-17-4)19-13(2,3)9-16/h10H,5-9H2,1-4H3.
What are the key properties of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 269.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 128978245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).