2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C15H16N2O3 — CID 136813532

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C15H16N2O3/c18-11-2-1-3-12(19)13(11)15-16-14(17-20-15)10-7-8-4-5-9(10)6-8/h1-3,8-10,18-19H,4-7H2
InChIKeyJKPCLPQTQJCYLY-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.05
Rot. Bonds2

About 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136813532) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136813532
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C15H16N2O3/c18-11-2-1-3-12(19)13(11)15-16-14(17-20-15)10-7-8-4-5-9(10)6-8/h1-3,8-10,18-19H,4-7H2
InChIKeyJKPCLPQTQJCYLY-UHFFFAOYSA-N
XLogP3.05
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136813532) is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cccc(O)c1-c1nc(C2CC3CCC2C3)no1.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is JKPCLPQTQJCYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-11-2-1-3-12(19)13(11)15-16-14(17-20-15)10-7-8-4-5-9(10)6-8/h1-3,8-10,18-19H,4-7H2.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 272.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136813532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).