ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate

C14H13N3O3 — CID 40694221

IUPACethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nnco2)cc2ccccc21
InChIInChI=1S/C14H13N3O3/c1-2-19-13(18)8-17-11-6-4-3-5-10(11)7-12(17)14-16-15-9-20-14/h3-7,9H,2,8H2,1H3
InChIKeyMZAZUNJUBNIZLJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.25
Rot. Bonds4

About ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate

ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (PubChem CID 40694221) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
PubChem CID40694221
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nnco2)cc2ccccc21
InChIInChI=1S/C14H13N3O3/c1-2-19-13(18)8-17-11-6-4-3-5-10(11)7-12(17)14-16-15-9-20-14/h3-7,9H,2,8H2,1H3
InChIKeyMZAZUNJUBNIZLJ-UHFFFAOYSA-N
XLogP2.25
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 176656513
1-(4-chlorophenyl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 40694289
1-(2,3-dihydroindol-1-yl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16836133
methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate
CID 40694279
2-[1-[(4-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 40694204
benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40693804
2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole
CID 40694284
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 41160222
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 18569319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (CID 40694221) is ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is CCOC(=O)Cn1c(-c2nnco2)cc2ccccc21.
What is the InChIKey of ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The InChIKey is MZAZUNJUBNIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-19-13(18)8-17-11-6-4-3-5-10(11)7-12(17)14-16-15-9-20-14/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate has a molecular weight of 271.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is sourced from PubChem (CID 40694221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).