2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

C15H19N3O2 — CID 75483946

IUPAC2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCc1ccc(C)c(-c2nc(C3CN(C)CCO3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-11(2)12(8-10)15-16-14(17-20-15)13-9-18(3)6-7-19-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyRHDWZMQXWSCJPZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.36
Rot. Bonds2

About 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (PubChem CID 75483946) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
PubChem CID75483946
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCc1ccc(C)c(-c2nc(C3CN(C)CCO3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-11(2)12(8-10)15-16-14(17-20-15)13-9-18(3)6-7-19-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyRHDWZMQXWSCJPZ-UHFFFAOYSA-N
XLogP2.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The IUPAC name of 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (CID 75483946) is 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The canonical SMILES for 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is Cc1ccc(C)c(-c2nc(C3CN(C)CCO3)no2)c1.
What is the InChIKey of 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The InChIKey is RHDWZMQXWSCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-5-11(2)12(8-10)15-16-14(17-20-15)13-9-18(3)6-7-19-13/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine has a molecular weight of 273.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is sourced from PubChem (CID 75483946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).