4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine

C21H21N5O3 — CID 56914288

IUPAC4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
SMILESc1ccc(OCc2noc(Cn3c(N4CCOCC4)nc4ccccc43)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-2-6-16(7-3-1)28-15-19-23-20(29-24-19)14-26-18-9-5-4-8-17(18)22-21(26)25-10-12-27-13-11-25/h1-9H,10-15H2
InChIKeyGGMBHUPQBATYEJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.88
Rot. Bonds6

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

4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine (PubChem CID 56914288) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
PubChem CID56914288
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
SMILESc1ccc(OCc2noc(Cn3c(N4CCOCC4)nc4ccccc43)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-2-6-16(7-3-1)28-15-19-23-20(29-24-19)14-26-18-9-5-4-8-17(18)22-21(26)25-10-12-27-13-11-25/h1-9H,10-15H2
InChIKeyGGMBHUPQBATYEJ-UHFFFAOYSA-N
XLogP2.88
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine?
The IUPAC name of 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine (CID 56914288) is 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine.
What is the SMILES notation for 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine?
The canonical SMILES for 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine is c1ccc(OCc2noc(Cn3c(N4CCOCC4)nc4ccccc43)n2)cc1.
What is the InChIKey of 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine?
The InChIKey is GGMBHUPQBATYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-2-6-16(7-3-1)28-15-19-23-20(29-24-19)14-26-18-9-5-4-8-17(18)22-21(26)25-10-12-27-13-11-25/h1-9H,10-15H2.
What are the key properties of 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine?
4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine has a molecular weight of 391.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine is sourced from PubChem (CID 56914288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).