4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine

C15H19N3O2 — CID 136568259

IUPAC4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nnc(Cc3ccccc3)o2)CCO1
InChIInChI=1S/C15H19N3O2/c1-15(2)11-18(8-9-19-15)14-17-16-13(20-14)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyXCOVWMMIDPNDFY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds3

About 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine

4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine (PubChem CID 136568259) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
PubChem CID136568259
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nnc(Cc3ccccc3)o2)CCO1
InChIInChI=1S/C15H19N3O2/c1-15(2)11-18(8-9-19-15)14-17-16-13(20-14)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyXCOVWMMIDPNDFY-UHFFFAOYSA-N
XLogP2.28
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine (CID 136568259) is 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine is CC1(C)CN(c2nnc(Cc3ccccc3)o2)CCO1.
What is the InChIKey of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine?
The InChIKey is XCOVWMMIDPNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)11-18(8-9-19-15)14-17-16-13(20-14)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine?
4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine has a molecular weight of 273.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 136568259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).