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

C11H8N2O — CID 90719234

IUPAC2-(1H-inden-2-yl)-1,3,4-oxadiazole
SMILESC1=C(c2nnco2)Cc2ccccc21
InChIInChI=1S/C11H8N2O/c1-2-4-9-6-10(5-8(9)3-1)11-13-12-7-14-11/h1-5,7H,6H2
InChIKeyGSVZEUBXIJMKKP-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.17
Rot. Bonds1

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

2-(1H-inden-2-yl)-1,3,4-oxadiazole (PubChem CID 90719234) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1H-inden-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-inden-2-yl)-1,3,4-oxadiazole
PubChem CID90719234
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-(1H-inden-2-yl)-1,3,4-oxadiazole
SMILESC1=C(c2nnco2)Cc2ccccc21
InChIInChI=1S/C11H8N2O/c1-2-4-9-6-10(5-8(9)3-1)11-13-12-7-14-11/h1-5,7H,6H2
InChIKeyGSVZEUBXIJMKKP-UHFFFAOYSA-N
XLogP2.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-inden-2-yl)-1,3,4-oxadiazole (CID 90719234) is 2-(1H-inden-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-inden-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-inden-2-yl)-1,3,4-oxadiazole is C1=C(c2nnco2)Cc2ccccc21.
What is the InChIKey of 2-(1H-inden-2-yl)-1,3,4-oxadiazole?
The InChIKey is GSVZEUBXIJMKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-9-6-10(5-8(9)3-1)11-13-12-7-14-11/h1-5,7H,6H2.
What are the key properties of 2-(1H-inden-2-yl)-1,3,4-oxadiazole?
2-(1H-inden-2-yl)-1,3,4-oxadiazole has a molecular weight of 184.20 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90719234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).