benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate

C21H19N3O3 — CID 40693804

IUPACbenzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCc1nnc(-c2cc3ccccc3n2CC(=O)OCc2ccccc2)o1
InChIInChI=1S/C21H19N3O3/c1-2-19-22-23-21(27-19)18-12-16-10-6-7-11-17(16)24(18)13-20(25)26-14-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyHBXOUQKZVRMVPX-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.00
Rot. Bonds6

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

benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (PubChem CID 40693804) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
PubChem CID40693804
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namebenzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
SMILESCCc1nnc(-c2cc3ccccc3n2CC(=O)OCc2ccccc2)o1
InChIInChI=1S/C21H19N3O3/c1-2-19-22-23-21(27-19)18-12-16-10-6-7-11-17(16)24(18)13-20(25)26-14-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyHBXOUQKZVRMVPX-UHFFFAOYSA-N
XLogP4.00
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-fluorophenyl)acetamide
CID 26842253
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16896709
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
CID 40693763
N-(5-chloro-2-methoxyphenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835956
ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40694221
3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
CID 40693833
N-[(4-fluorophenyl)methyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842332
N-(2-methylphenyl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842301
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835973

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The IUPAC name of benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate (CID 40693804) is benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate.
What is the SMILES notation for benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The canonical SMILES for benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is CCc1nnc(-c2cc3ccccc3n2CC(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
The InChIKey is HBXOUQKZVRMVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-19-22-23-21(27-19)18-12-16-10-6-7-11-17(16)24(18)13-20(25)26-14-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3.
What are the key properties of benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate?
benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate has a molecular weight of 361.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate is sourced from PubChem (CID 40693804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).