3-(5-amino-1,3-benzoxazol-2-yl)phenol

C13H10N2O2 — CID 131880958

IUPAC3-(5-amino-1,3-benzoxazol-2-yl)phenol
SMILESNc1ccc2oc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C13H10N2O2/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H,14H2
InChIKeyPIGFFBLYKJFDFZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.78
Rot. Bonds1

About 3-(5-amino-1,3-benzoxazol-2-yl)phenol

3-(5-amino-1,3-benzoxazol-2-yl)phenol (PubChem CID 131880958) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(5-amino-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-1,3-benzoxazol-2-yl)phenol
PubChem CID131880958
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(5-amino-1,3-benzoxazol-2-yl)phenol
SMILESNc1ccc2oc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C13H10N2O2/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H,14H2
InChIKeyPIGFFBLYKJFDFZ-UHFFFAOYSA-N
XLogP2.78
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-5-amine
CID 100817982
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392
3-(6-amino-1,3-benzoxazol-2-yl)benzamide
CID 95911825
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazol-5-amine
CID 25188057
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzoxazol-5-amine iodide
CID 102552513
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 3-(5-amino-1,3-benzoxazol-2-yl)phenol (CID 131880958) is 3-(5-amino-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 3-(5-amino-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 3-(5-amino-1,3-benzoxazol-2-yl)phenol is Nc1ccc2oc(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 3-(5-amino-1,3-benzoxazol-2-yl)phenol?
The InChIKey is PIGFFBLYKJFDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-9-4-5-12-11(7-9)15-13(17-12)8-2-1-3-10(16)6-8/h1-7,16H,14H2.
What are the key properties of 3-(5-amino-1,3-benzoxazol-2-yl)phenol?
3-(5-amino-1,3-benzoxazol-2-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 131880958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).