[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone

C23H22N4O3 — CID 24851007

IUPAC[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)no1)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C23H22N4O3/c28-21(23-24-22(25-30-23)17-6-2-1-3-7-17)19-16-27(20-9-5-4-8-18(19)20)11-10-26-12-14-29-15-13-26/h1-9,16H,10-15H2
InChIKeyPMKOBKHNCLGQEA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.25
Rot. Bonds6

About [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone

[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 24851007) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID24851007
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)no1)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C23H22N4O3/c28-21(23-24-22(25-30-23)17-6-2-1-3-7-17)19-16-27(20-9-5-4-8-18(19)20)11-10-26-12-14-29-15-13-26/h1-9,16H,10-15H2
InChIKeyPMKOBKHNCLGQEA-UHFFFAOYSA-N
XLogP3.25
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone (CID 24851007) is [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2ccccc2)no1)c1cn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is PMKOBKHNCLGQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-21(23-24-22(25-30-23)17-6-2-1-3-7-17)19-16-27(20-9-5-4-8-18(19)20)11-10-26-12-14-29-15-13-26/h1-9,16H,10-15H2.
What are the key properties of [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone?
[1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 402.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 24851007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).