ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate

C20H25N3O3 — CID 41160175

IUPACethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate
SMILESCCCCc1nnc(-c2cc3ccccc3n2C(C)(C)C(=O)OCC)o1
InChIInChI=1S/C20H25N3O3/c1-5-7-12-17-21-22-18(26-17)16-13-14-10-8-9-11-15(14)23(16)20(3,4)19(24)25-6-2/h8-11,13H,5-7,12H2,1-4H3
InChIKeyMJNVIAPDXGJCNF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.33
Rot. Bonds7

About ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate

ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate (PubChem CID 41160175) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate
PubChem CID41160175
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate
SMILESCCCCc1nnc(-c2cc3ccccc3n2C(C)(C)C(=O)OCC)o1
InChIInChI=1S/C20H25N3O3/c1-5-7-12-17-21-22-18(26-17)16-13-14-10-8-9-11-15(14)23(16)20(3,4)19(24)25-6-2/h8-11,13H,5-7,12H2,1-4H3
InChIKeyMJNVIAPDXGJCNF-UHFFFAOYSA-N
XLogP4.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
CID 40694001
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
N-(2-methylphenyl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842301
3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
CID 40693833
benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40693804
1-(2,3-dihydroindol-1-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16835963
N-[(4-fluorophenyl)methyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842332
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835973
4-[2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethyl]morpholine
CID 29173424
2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
CID 40693861
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate (CID 41160175) is ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate is CCCCc1nnc(-c2cc3ccccc3n2C(C)(C)C(=O)OCC)o1.
What is the InChIKey of ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate?
The InChIKey is MJNVIAPDXGJCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-7-12-17-21-22-18(26-17)16-13-14-10-8-9-11-15(14)23(16)20(3,4)19(24)25-6-2/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate?
ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate has a molecular weight of 355.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 41160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).