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

C22H22N4O2 — CID 10156261

IUPAC4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
SMILESc1ccc(-c2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-2-6-17(7-3-1)21-23-22(28-24-21)19-16-26(20-9-5-4-8-18(19)20)11-10-25-12-14-27-15-13-25/h1-9,16H,10-15H2
InChIKeyROVLEDBBPHYZHH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds5

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

4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine (PubChem CID 10156261) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
PubChem CID10156261
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine
SMILESc1ccc(-c2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-2-6-17(7-3-1)21-23-22(28-24-21)19-16-26(20-9-5-4-8-18(19)20)11-10-25-12-14-27-15-13-25/h1-9,16H,10-15H2
InChIKeyROVLEDBBPHYZHH-UHFFFAOYSA-N
XLogP3.69
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
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-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine (CID 10156261) is 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine is c1ccc(-c2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
The InChIKey is ROVLEDBBPHYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-6-17(7-3-1)21-23-22(28-24-21)19-16-26(20-9-5-4-8-18(19)20)11-10-25-12-14-27-15-13-25/h1-9,16H,10-15H2.
What are the key properties of 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine?
4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine has a molecular weight of 374.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10156261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).