ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate

C14H12ClN3O3 — CID 176656513

IUPACethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nnco2)cc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3O3/c1-2-20-13(19)7-18-11-6-10(15)4-3-9(11)5-12(18)14-17-16-8-21-14/h3-6,8H,2,7H2,1H3
InChIKeyWMGBFYQNCIGYEU-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate

ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (PubChem CID 176656513) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
PubChem CID176656513
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Nameethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nnco2)cc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3O3/c1-2-20-13(19)7-18-11-6-10(15)4-3-9(11)5-12(18)14-17-16-8-21-14/h3-6,8H,2,7H2,1H3
InChIKeyWMGBFYQNCIGYEU-UHFFFAOYSA-N
XLogP2.91
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (CID 176656513) is ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is CCOC(=O)Cn1c(-c2nnco2)cc2ccc(Cl)cc21.
What is the InChIKey of ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The InChIKey is WMGBFYQNCIGYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-2-20-13(19)7-18-11-6-10(15)4-3-9(11)5-12(18)14-17-16-8-21-14/h3-6,8H,2,7H2,1H3.
What are the key properties of ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate has a molecular weight of 305.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is sourced from PubChem (CID 176656513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).