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

C23H23ClN4O2 — CID 22339945

IUPAC4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESClc1ccccc1Cc1noc(-c2cn(CCN3CCOCC3)c3ccccc23)n1
InChIInChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
InChIKeyCNKBVNMRAAYLLG-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.27
Rot. Bonds6

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

4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 22339945) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID22339945
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESClc1ccccc1Cc1noc(-c2cn(CCN3CCOCC3)c3ccccc23)n1
InChIInChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
InChIKeyCNKBVNMRAAYLLG-UHFFFAOYSA-N
XLogP4.27
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.27
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-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 22339945) is 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is Clc1ccccc1Cc1noc(-c2cn(CCN3CCOCC3)c3ccccc23)n1.
What is the InChIKey of 4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is CNKBVNMRAAYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)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-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 422.92 g/mol, XLogP of 4.27, 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-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 22339945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).