2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

C15H13N3O2 — CID 136712652

IUPAC2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3cccc(N)c3O)n2)cc1
InChIInChI=1S/C15H13N3O2/c1-9-5-7-10(8-6-9)14-17-15(20-18-14)11-3-2-4-12(16)13(11)19/h2-8,19H,16H2,1H3
InChIKeyLFYJOEXBNXAUON-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136712652) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136712652
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3cccc(N)c3O)n2)cc1
InChIInChI=1S/C15H13N3O2/c1-9-5-7-10(8-6-9)14-17-15(20-18-14)11-3-2-4-12(16)13(11)19/h2-8,19H,16H2,1H3
InChIKeyLFYJOEXBNXAUON-UHFFFAOYSA-N
XLogP3.00
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.00
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-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-amino-6-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136810050
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
2-methyl-6-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136673874
2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712650
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136712652) is 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2noc(-c3cccc(N)c3O)n2)cc1.
What is the InChIKey of 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is LFYJOEXBNXAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-5-7-10(8-6-9)14-17-15(20-18-14)11-3-2-4-12(16)13(11)19/h2-8,19H,16H2,1H3.
What are the key properties of 2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.00, 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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).