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

C15H13N3O2 — CID 136872205

IUPAC2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)c(N)c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)10-6-7-13(19)12(16)8-10/h2-8,19H,16H2,1H3
InChIKeyJCXCCTUHGKODFU-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.00
Rot. Bonds2

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

2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136872205) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136872205
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)c(N)c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)10-6-7-13(19)12(16)8-10/h2-8,19H,16H2,1H3
InChIKeyJCXCCTUHGKODFU-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

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
2-amino-4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136843029
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
2-amino-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136872227
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136872205) is 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1-c1noc(-c2ccc(O)c(N)c2)n1.
What is the InChIKey of 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is JCXCCTUHGKODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-4-2-3-5-11(9)14-17-15(20-18-14)10-6-7-13(19)12(16)8-10/h2-8,19H,16H2,1H3.
What are the key properties of 2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-4-[3-(2-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-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136872205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).