4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine

C18H21N5O2 — CID 24851060

IUPAC4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)cn3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-4-15(5-3-1)12-17-20-18(25-21-17)16-13-23(14-19-16)7-6-22-8-10-24-11-9-22/h1-5,13-14H,6-12H2
InChIKeyZLHATPATVVIJOY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds6

About 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine

4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine (PubChem CID 24851060) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine
PubChem CID24851060
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)cn3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-4-15(5-3-1)12-17-20-18(25-21-17)16-13-23(14-19-16)7-6-22-8-10-24-11-9-22/h1-5,13-14H,6-12H2
InChIKeyZLHATPATVVIJOY-UHFFFAOYSA-N
XLogP1.86
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine (CID 24851060) is 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine is c1ccc(Cc2noc(-c3cn(CCN4CCOCC4)cn3)n2)cc1.
What is the InChIKey of 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The InChIKey is ZLHATPATVVIJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-4-15(5-3-1)12-17-20-18(25-21-17)16-13-23(14-19-16)7-6-22-8-10-24-11-9-22/h1-5,13-14H,6-12H2.
What are the key properties of 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine?
4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine has a molecular weight of 339.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 24851060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).