3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine

C17H22N4O3 — CID 167761295

IUPAC3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc(Cc2nc(C3COCCN3)no2)cc(N2CCOCC2)c1
InChIInChI=1S/C17H22N4O3/c1-2-13(10-14(3-1)21-5-8-22-9-6-21)11-16-19-17(20-24-16)15-12-23-7-4-18-15/h1-3,10,15,18H,4-9,11-12H2
InChIKeyLCIYFOGZQHZBRL-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.16
Rot. Bonds4

About 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine

3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 167761295) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID167761295
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc(Cc2nc(C3COCCN3)no2)cc(N2CCOCC2)c1
InChIInChI=1S/C17H22N4O3/c1-2-13(10-14(3-1)21-5-8-22-9-6-21)11-16-19-17(20-24-16)15-12-23-7-4-18-15/h1-3,10,15,18H,4-9,11-12H2
InChIKeyLCIYFOGZQHZBRL-UHFFFAOYSA-N
XLogP1.16
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (CID 167761295) is 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is c1cc(Cc2nc(C3COCCN3)no2)cc(N2CCOCC2)c1.
What is the InChIKey of 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is LCIYFOGZQHZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-13(10-14(3-1)21-5-8-22-9-6-21)11-16-19-17(20-24-16)15-12-23-7-4-18-15/h1-3,10,15,18H,4-9,11-12H2.
What are the key properties of 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 330.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 167761295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).