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

C16H21N3O2 — CID 47038086

IUPAC4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cc3ccccc3)no2)CC(C)O1
InChIInChI=1S/C16H21N3O2/c1-12-9-19(10-13(2)20-12)11-16-17-15(18-21-16)8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRSRTYZDGMFPWPZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds4

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

4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 47038086) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine
PubChem CID47038086
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cc3ccccc3)no2)CC(C)O1
InChIInChI=1S/C16H21N3O2/c1-12-9-19(10-13(2)20-12)11-16-17-15(18-21-16)8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRSRTYZDGMFPWPZ-UHFFFAOYSA-N
XLogP2.27
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine (CID 47038086) is 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2nc(Cc3ccccc3)no2)CC(C)O1.
What is the InChIKey of 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is RSRTYZDGMFPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-9-19(10-13(2)20-12)11-16-17-15(18-21-16)8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine?
4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 287.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 47038086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).