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

C24H26N4O3 — CID 10158990

IUPAC4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESCOc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C24H26N4O3/c1-29-19-8-6-18(7-9-19)16-23-25-24(31-26-23)21-17-28(22-5-3-2-4-20(21)22)11-10-27-12-14-30-15-13-27/h2-9,17H,10-16H2,1H3
InChIKeyTZZYKKJDNVAHKA-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.62
Rot. Bonds7

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

4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 10158990) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID10158990
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESCOc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C24H26N4O3/c1-29-19-8-6-18(7-9-19)16-23-25-24(31-26-23)21-17-28(22-5-3-2-4-20(21)22)11-10-27-12-14-30-15-13-27/h2-9,17H,10-16H2,1H3
InChIKeyTZZYKKJDNVAHKA-UHFFFAOYSA-N
XLogP3.62
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
CID 44603601
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylquinolin-2-one
CID 166201066
2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 70677889
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828
4-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99988179
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29259012
5-[2-ethyl-2-(oxan-4-yl)pyrazol-2-ium-3-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 87981781
2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethylamino)quinazolin-4-one
CID 131748521

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 10158990) is 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is COc1ccc(Cc2noc(-c3cn(CCN4CCOCC4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is TZZYKKJDNVAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-19-8-6-18(7-9-19)16-23-25-24(31-26-23)21-17-28(22-5-3-2-4-20(21)22)11-10-27-12-14-30-15-13-27/h2-9,17H,10-16H2,1H3.
What are the key properties of 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 418.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10158990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).