4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine

C14H12N4O — CID 2745721

IUPAC4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N)n1
InChIInChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyXWMBSXFOZPVNQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

About 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine (PubChem CID 2745721) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
PubChem CID2745721
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N)n1
InChIInChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyXWMBSXFOZPVNQH-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine (CID 2745721) is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine is Cc1onc(-c2ccccc2)c1-c1ccnc(N)n1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The InChIKey is XWMBSXFOZPVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine has a molecular weight of 252.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 2745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).