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

C15H17N3O — CID 58039124

IUPAC2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cn(CC)c3cc(C)ccc23)o1
InChIInChI=1S/C15H17N3O/c1-4-14-16-17-15(19-14)12-9-18(5-2)13-8-10(3)6-7-11(12)13/h6-9H,4-5H2,1-3H3
InChIKeyRVIJSEDKYAGMNO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.58
Rot. Bonds3

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

2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole (PubChem CID 58039124) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole
PubChem CID58039124
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cn(CC)c3cc(C)ccc23)o1
InChIInChI=1S/C15H17N3O/c1-4-14-16-17-15(19-14)12-9-18(5-2)13-8-10(3)6-7-11(12)13/h6-9H,4-5H2,1-3H3
InChIKeyRVIJSEDKYAGMNO-UHFFFAOYSA-N
XLogP3.58
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 59762338
N,N-Diethyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858944
N-tert-Butyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858948
[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 858960
3-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 858964
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 644615
2-[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 645810
1-(2,6-Dimethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 649105
2-[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(2-methyl-piperidin-1-yl)-ethanone
CID 649370

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole (CID 58039124) is 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole is CCc1nnc(-c2cn(CC)c3cc(C)ccc23)o1.
What is the InChIKey of 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole?
The InChIKey is RVIJSEDKYAGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-14-16-17-15(19-14)12-9-18(5-2)13-8-10(3)6-7-11(12)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole?
2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole has a molecular weight of 255.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 58039124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).