5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid

C12H10N2O3 — CID 55184374

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H10N2O3/c15-12(16)10-13-11(17-14-10)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16)
InChIKeyFEZYZWWYZFBBTH-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.92
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 55184374) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID55184374
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H10N2O3/c15-12(16)10-13-11(17-14-10)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16)
InChIKeyFEZYZWWYZFBBTH-UHFFFAOYSA-N
XLogP1.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 55184374) is 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is FEZYZWWYZFBBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)10-13-11(17-14-10)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 55184374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).