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

C14H12N2O2 — CID 136802404

IUPAC2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)c(O)c1
InChIInChI=1S/C14H12N2O2/c1-8-2-4-10(12(17)6-8)14-16-11-7-9(15)3-5-13(11)18-14/h2-7,17H,15H2,1H3
InChIKeyKVRPNJULNLEHIX-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds1

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

2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol (PubChem CID 136802404) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
PubChem CID136802404
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)c(O)c1
InChIInChI=1S/C14H12N2O2/c1-8-2-4-10(12(17)6-8)14-16-11-7-9(15)3-5-13(11)18-14/h2-7,17H,15H2,1H3
InChIKeyKVRPNJULNLEHIX-UHFFFAOYSA-N
XLogP3.09
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
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-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol
CID 135949417
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
4-amino-2-methyl-6-(6-methyl-1,3-benzoxazol-2-yl)phenol
CID 2978413
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol?
The IUPAC name of 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol (CID 136802404) is 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol.
What is the SMILES notation for 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol?
The canonical SMILES for 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol is Cc1ccc(-c2nc3cc(N)ccc3o2)c(O)c1.
What is the InChIKey of 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol?
The InChIKey is KVRPNJULNLEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-2-4-10(12(17)6-8)14-16-11-7-9(15)3-5-13(11)18-14/h2-7,17H,15H2,1H3.
What are the key properties of 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol?
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol has a molecular weight of 240.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol is sourced from PubChem (CID 136802404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).