5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole

C15H17N3O2 — CID 11558110

IUPAC5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1
InChIInChI=1S/C15H17N3O2/c1-4-14-16-15(17-20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13/h6-9H,4-5H2,1-3H3
InChIKeyDSUAQSKWNMCGRY-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.28
Rot. Bonds4

About 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole

5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole (PubChem CID 11558110) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole
PubChem CID11558110
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1
InChIInChI=1S/C15H17N3O2/c1-4-14-16-15(17-20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13/h6-9H,4-5H2,1-3H3
InChIKeyDSUAQSKWNMCGRY-UHFFFAOYSA-N
XLogP3.28
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-(1-ethyl-6-methoxyindol-3-yl)propan-2-ol
CID 117122288
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
CID 61496996
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-ethylaniline
CID 51202885
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
CID 2028696

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole (CID 11558110) is 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole is CCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1.
What is the InChIKey of 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is DSUAQSKWNMCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-14-16-15(17-20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 11558110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).