2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol

C15H18N2O3 — CID 136813482

IUPAC2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(C2CCCCCC2)no1
InChIInChI=1S/C15H18N2O3/c18-11-8-5-9-12(19)13(11)15-16-14(17-20-15)10-6-3-1-2-4-7-10/h5,8-10,18-19H,1-4,6-7H2
InChIKeyYOZLHXXLDMYXBI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (PubChem CID 136813482) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
PubChem CID136813482
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(C2CCCCCC2)no1
InChIInChI=1S/C15H18N2O3/c18-11-8-5-9-12(19)13(11)15-16-14(17-20-15)10-6-3-1-2-4-7-10/h5,8-10,18-19H,1-4,6-7H2
InChIKeyYOZLHXXLDMYXBI-UHFFFAOYSA-N
XLogP3.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785

Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (CID 136813482) is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is Oc1cccc(O)c1-c1nc(C2CCCCCC2)no1.
What is the InChIKey of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The InChIKey is YOZLHXXLDMYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-11-8-5-9-12(19)13(11)15-16-14(17-20-15)10-6-3-1-2-4-7-10/h5,8-10,18-19H,1-4,6-7H2.
What are the key properties of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol has a molecular weight of 274.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 136813482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).