2-(1H-indol-3-yl)-1,3,4-oxadiazole

C10H7N3O — CID 603818

IUPAC2-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnco3)c[nH]c2c1
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)8(5-11-9)10-13-12-6-14-10/h1-6,11H
InChIKeyRNQOXZZZQQAXPQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 2-(1H-indol-3-yl)-1,3,4-oxadiazole

2-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 603818) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID603818
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnco3)c[nH]c2c1
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)8(5-11-9)10-13-12-6-14-10/h1-6,11H
InChIKeyRNQOXZZZQQAXPQ-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indole-3-carboxylate
CID 589098
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
Ethyl Indole-3-carboxylate
CID 247965
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
N,N-Diethyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858944
N-tert-Butyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858948
[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 858960
3-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 858964
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
N'-(1H-pyrrol-2-ylmethylene)-1H-indole-3-carbohydrazide
CID 135475143
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 603818) is 2-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-1,3,4-oxadiazole is c1ccc2c(-c3nnco3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is RNQOXZZZQQAXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-9-7(3-1)8(5-11-9)10-13-12-6-14-10/h1-6,11H.
What are the key properties of 2-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 603818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).