4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

C23H23BrN4O2 — CID 22339933

IUPAC4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESBrc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H23BrN4O2/c24-18-7-5-17(6-8-18)15-22-25-23(30-26-22)20-16-28(21-4-2-1-3-19(20)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
InChIKeyCDLABKJCYUMROI-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.38
Rot. Bonds6

About 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 22339933) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID22339933
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC Name4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESBrc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H23BrN4O2/c24-18-7-5-17(6-8-18)15-22-25-23(30-26-22)20-16-28(21-4-2-1-3-19(20)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
InChIKeyCDLABKJCYUMROI-UHFFFAOYSA-N
XLogP4.38
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 22339933) is 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is Brc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is CDLABKJCYUMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c24-18-7-5-17(6-8-18)15-22-25-23(30-26-22)20-16-28(21-4-2-1-3-19(20)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2.
What are the key properties of 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 467.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 22339933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).