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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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).