5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole

C17H13N5O — CID 23725963

IUPAC5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ncccn2)cn1
InChIInChI=1S/C17H13N5O/c1-12-15(16(21-23-12)13-6-3-2-4-7-13)14-10-22(11-20-14)17-18-8-5-9-19-17/h2-11H,1H3
InChIKeyZYDJLOUCKOFVPE-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.29
Rot. Bonds3

About 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole

5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole (PubChem CID 23725963) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
PubChem CID23725963
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ncccn2)cn1
InChIInChI=1S/C17H13N5O/c1-12-15(16(21-23-12)13-6-3-2-4-7-13)14-10-22(11-20-14)17-18-8-5-9-19-17/h2-11H,1H3
InChIKeyZYDJLOUCKOFVPE-UHFFFAOYSA-N
XLogP3.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-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-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole (CID 23725963) is 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1cn(-c2ncccn2)cn1.
What is the InChIKey of 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The InChIKey is ZYDJLOUCKOFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-15(16(21-23-12)13-6-3-2-4-7-13)14-10-22(11-20-14)17-18-8-5-9-19-17/h2-11H,1H3.
What are the key properties of 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole has a molecular weight of 303.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 23725963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).