2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol

C16H21N3O2 — CID 136712774

IUPAC2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1cccc(-c2nc(C3CCCCCCC3)no2)c1O
InChIInChI=1S/C16H21N3O2/c17-13-10-6-9-12(14(13)20)16-18-15(19-21-16)11-7-4-2-1-3-5-8-11/h6,9-11,20H,1-5,7-8,17H2
InChIKeyDFTBHOXITAOLAU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.85
Rot. Bonds2

About 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol

2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136712774) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136712774
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1cccc(-c2nc(C3CCCCCCC3)no2)c1O
InChIInChI=1S/C16H21N3O2/c17-13-10-6-9-12(14(13)20)16-18-15(19-21-16)11-7-4-2-1-3-5-8-11/h6,9-11,20H,1-5,7-8,17H2
InChIKeyDFTBHOXITAOLAU-UHFFFAOYSA-N
XLogP3.85
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712744
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
2-amino-6-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136831419
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 64982482

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol (CID 136712774) is 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol is Nc1cccc(-c2nc(C3CCCCCCC3)no2)c1O.
What is the InChIKey of 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is DFTBHOXITAOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-13-10-6-9-12(14(13)20)16-18-15(19-21-16)11-7-4-2-1-3-5-8-11/h6,9-11,20H,1-5,7-8,17H2.
What are the key properties of 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol?
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 287.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136712774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).