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

C21H22N4O2S — CID 10200677

IUPAC4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1csc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)c1
InChIInChI=1S/C21H22N4O2S/c1-2-6-19-17(5-1)18(15-25(19)8-7-24-9-11-26-12-10-24)21-22-20(23-27-21)14-16-4-3-13-28-16/h1-6,13,15H,7-12,14H2
InChIKeyCLTLMZDQIBJPKB-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.68
Rot. Bonds6

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

4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 10200677) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID10200677
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1csc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)c1
InChIInChI=1S/C21H22N4O2S/c1-2-6-19-17(5-1)18(15-25(19)8-7-24-9-11-26-12-10-24)21-22-20(23-27-21)14-16-4-3-13-28-16/h1-6,13,15H,7-12,14H2
InChIKeyCLTLMZDQIBJPKB-UHFFFAOYSA-N
XLogP3.68
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-(3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)-ethyl)morpholine
CID 10156261
3-Benzyl-5-1-(2-(piperidine-1-yl)ethyl)-1H-indol-3-yl)-1,2,4-oxadiazole
CID 10200181
3-[3-Benzyl-[1,2,4]oxadiazol-5-yl]-1-(2-morpholin-4-yl-ethyl)-1H-indole
CID 10271599
4-(2-(3-(3-Phenethyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10294538
4-(2-(3-(3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339933
4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339945
4-[2-[3-[3-(4-Phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
CID 10114846
4-((3-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)-methyl)oxazolidine-2-one
CID 24851061
Bzodz-epyr
CID 9842447
4-[2-[3-[3-(Naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
CID 10225141
2,2,2-trifluoro-1-(1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indol-3-yl)ethanone
CID 21380871
1-Morpholin-4-yl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)indol-1-yl]ethanone
CID 24851006

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 10200677) is 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is c1csc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)c1.
What is the InChIKey of 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is CLTLMZDQIBJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-6-19-17(5-1)18(15-25(19)8-7-24-9-11-26-12-10-24)21-22-20(23-27-21)14-16-4-3-13-28-16/h1-6,13,15H,7-12,14H2.
What are the key properties of 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 394.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10200677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).