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

C15H17N3O2 — CID 136847082

IUPAC5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(C3CC4CCC3C4)no2)c(O)c1
InChIInChI=1S/C15H17N3O2/c16-10-3-4-11(13(19)7-10)15-17-14(18-20-15)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,19H,1-2,5-6,16H2
InChIKeyOJJUJDUGCPYOBP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds2

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

5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136847082) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136847082
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(C3CC4CCC3C4)no2)c(O)c1
InChIInChI=1S/C15H17N3O2/c16-10-3-4-11(13(19)7-10)15-17-14(18-20-15)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,19H,1-2,5-6,16H2
InChIKeyOJJUJDUGCPYOBP-UHFFFAOYSA-N
XLogP2.93
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706931
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
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837256
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
3-chloro-4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392148
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 113383365
3-chloro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621088
5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol
CID 136994349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136847082) is 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1ccc(-c2nc(C3CC4CCC3C4)no2)c(O)c1.
What is the InChIKey of 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OJJUJDUGCPYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-10-3-4-11(13(19)7-10)15-17-14(18-20-15)12-6-8-1-2-9(12)5-8/h3-4,7-9,12,19H,1-2,5-6,16H2.
What are the key properties of 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol?
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136847082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).