5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine

C13H10N4O — CID 145311674

IUPAC5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-c3ccncn3)cc2)on1
InChIInChI=1S/C13H10N4O/c14-13-7-12(18-17-13)10-3-1-9(2-4-10)11-5-6-15-8-16-11/h1-8H,(H2,14,17)
InChIKeyRBLVGTVVIFWMKL-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds2

About 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine

5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 145311674) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
PubChem CID145311674
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-c3ccncn3)cc2)on1
InChIInChI=1S/C13H10N4O/c14-13-7-12(18-17-13)10-3-1-9(2-4-10)11-5-6-15-8-16-11/h1-8H,(H2,14,17)
InChIKeyRBLVGTVVIFWMKL-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine (CID 145311674) is 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccc(-c3ccncn3)cc2)on1.
What is the InChIKey of 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is RBLVGTVVIFWMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13-7-12(18-17-13)10-3-1-9(2-4-10)11-5-6-15-8-16-11/h1-8H,(H2,14,17).
What are the key properties of 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine?
5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 238.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 145311674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).