2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol

C11H12N2O2 — CID 117292479

IUPAC2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cnoc2N)c(O)c1
InChIInChI=1S/C11H12N2O2/c1-6-3-7(2)10(9(14)4-6)8-5-13-15-11(8)12/h3-5,14H,12H2,1-2H3
InChIKeySPGBUGDGSJFYQL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.25
Rot. Bonds1

About 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol

2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol (PubChem CID 117292479) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
PubChem CID117292479
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cnoc2N)c(O)c1
InChIInChI=1S/C11H12N2O2/c1-6-3-7(2)10(9(14)4-6)8-5-13-15-11(8)12/h3-5,14H,12H2,1-2H3
InChIKeySPGBUGDGSJFYQL-UHFFFAOYSA-N
XLogP2.25
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol (CID 117292479) is 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol is Cc1cc(C)c(-c2cnoc2N)c(O)c1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol?
The InChIKey is SPGBUGDGSJFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-7(2)10(9(14)4-6)8-5-13-15-11(8)12/h3-5,14H,12H2,1-2H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol?
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol has a molecular weight of 204.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol is sourced from PubChem (CID 117292479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).