4-(2H-isoindol-1-yl)oxadiazole

C10H7N3O — CID 57453680

IUPAC4-(2H-isoindol-1-yl)oxadiazole
SMILESc1ccc2c(-c3conn3)[nH]cc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-11-10(8)9-6-14-13-12-9/h1-6,11H
InChIKeyKUUVQBTWTNEOOF-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 4-(2H-isoindol-1-yl)oxadiazole

4-(2H-isoindol-1-yl)oxadiazole (PubChem CID 57453680) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(2H-isoindol-1-yl)oxadiazole.

Molecular Properties

Compound Name4-(2H-isoindol-1-yl)oxadiazole
PubChem CID57453680
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name4-(2H-isoindol-1-yl)oxadiazole
SMILESc1ccc2c(-c3conn3)[nH]cc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-11-10(8)9-6-14-13-12-9/h1-6,11H
InChIKeyKUUVQBTWTNEOOF-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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Frequently Asked Questions

What is the IUPAC name of 4-(2H-isoindol-1-yl)oxadiazole?
The IUPAC name of 4-(2H-isoindol-1-yl)oxadiazole (CID 57453680) is 4-(2H-isoindol-1-yl)oxadiazole.
What is the SMILES notation for 4-(2H-isoindol-1-yl)oxadiazole?
The canonical SMILES for 4-(2H-isoindol-1-yl)oxadiazole is c1ccc2c(-c3conn3)[nH]cc2c1.
What is the InChIKey of 4-(2H-isoindol-1-yl)oxadiazole?
The InChIKey is KUUVQBTWTNEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-8-7(3-1)5-11-10(8)9-6-14-13-12-9/h1-6,11H.
What are the key properties of 4-(2H-isoindol-1-yl)oxadiazole?
4-(2H-isoindol-1-yl)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 4-(2H-isoindol-1-yl)oxadiazole is sourced from PubChem (CID 57453680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).