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

C13H10N2O2 — CID 721870

IUPAC4-amino-2-(1,3-benzoxazol-2-yl)phenol
SMILESNc1ccc(O)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H10N2O2/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChIKeyJVPMCQUVQZEYKJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.78
Rot. Bonds1

About 4-amino-2-(1,3-benzoxazol-2-yl)phenol

4-amino-2-(1,3-benzoxazol-2-yl)phenol (PubChem CID 721870) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-2-(1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-(1,3-benzoxazol-2-yl)phenol
PubChem CID721870
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-amino-2-(1,3-benzoxazol-2-yl)phenol
SMILESNc1ccc(O)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H10N2O2/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChIKeyJVPMCQUVQZEYKJ-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
5-Nitro-2-phenyl-1,3-benzoxazole
CID 759401
2-(2-Benzoxazolyl)phenol
CID 13269
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-amino-2-(1,3-benzoxazol-2-yl)phenol (CID 721870) is 4-amino-2-(1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-amino-2-(1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-amino-2-(1,3-benzoxazol-2-yl)phenol is Nc1ccc(O)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 4-amino-2-(1,3-benzoxazol-2-yl)phenol?
The InChIKey is JVPMCQUVQZEYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2.
What are the key properties of 4-amino-2-(1,3-benzoxazol-2-yl)phenol?
4-amino-2-(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 4-amino-2-(1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 721870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).