4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine

C17H20N6O2 — CID 56919041

IUPAC4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESc1ccc(CCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1
InChIInChI=1S/C17H20N6O2/c1-2-4-14(5-3-1)6-7-23-12-15(19-21-23)17-18-16(20-25-17)13-22-8-10-24-11-9-22/h1-5,12H,6-11,13H2
InChIKeyUSEHHURUXMCKNG-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.40
Rot. Bonds6

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

4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (PubChem CID 56919041) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
PubChem CID56919041
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESc1ccc(CCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1
InChIInChI=1S/C17H20N6O2/c1-2-4-14(5-3-1)6-7-23-12-15(19-21-23)17-18-16(20-25-17)13-22-8-10-24-11-9-22/h1-5,12H,6-11,13H2
InChIKeyUSEHHURUXMCKNG-UHFFFAOYSA-N
XLogP1.40
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (CID 56919041) is 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is c1ccc(CCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1.
What is the InChIKey of 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The InChIKey is USEHHURUXMCKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-4-14(5-3-1)6-7-23-12-15(19-21-23)17-18-16(20-25-17)13-22-8-10-24-11-9-22/h1-5,12H,6-11,13H2.
What are the key properties of 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine has a molecular weight of 340.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 56919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).