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

C23H24N4O2 — CID 10271599

IUPAC4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-6-18(7-3-1)16-22-24-23(29-25-22)20-17-27(21-9-5-4-8-19(20)21)11-10-26-12-14-28-15-13-26/h1-9,17H,10-16H2
InChIKeyJCDROPVAEVESRD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.61
Rot. Bonds6

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

4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine (PubChem CID 10271599) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
PubChem CID10271599
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-6-18(7-3-1)16-22-24-23(29-25-22)20-17-27(21-9-5-4-8-19(20)21)11-10-26-12-14-28-15-13-26/h1-9,17H,10-16H2
InChIKeyJCDROPVAEVESRD-UHFFFAOYSA-N
XLogP3.61
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.61
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-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine (CID 10271599) is 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine is c1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The InChIKey is JCDROPVAEVESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-6-18(7-3-1)16-22-24-23(29-25-22)20-17-27(21-9-5-4-8-19(20)21)11-10-26-12-14-28-15-13-26/h1-9,17H,10-16H2.
What are the key properties of 4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
4-[2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine has a molecular weight of 388.47 g/mol, XLogP of 3.61, 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-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10271599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).