5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

C19H21N5O — CID 138027753

IUPAC5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJVHQQBAFIXGRJW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

About 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole

5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 138027753) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID138027753
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJVHQQBAFIXGRJW-UHFFFAOYSA-N
XLogP2.76
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole 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 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 138027753) is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1nccc(N2CCN(Cc3cnc(-c4ccccc4)o3)CC2)n1.
What is the InChIKey of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is JVHQQBAFIXGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-20-8-7-18(22-15)24-11-9-23(10-12-24)14-17-13-21-19(25-17)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 335.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 138027753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).