5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole

C19H19N5O — CID 171679165

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 171679165) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
• PubChem CID: 171679165
• Molecular Formula: C19H19N5O
• Molecular Weight: 333.40 g/mol
• Exact Mass: 333.16
• IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
• SMILES: Cc1cc(C)n(CC2CC(c3cccc(-c4ncccn4)c3)=NO2)n1
• InChI: InChI=1S/C19H19N5O/c1-13-9-14(2)24(22-13)12-17-11-18(23-25-17)15-5-3-6-16(10-15)19-20-7-4-8-21-19/h3-10,17H,11-12H2,1-2H3
• InChIKey: IZCXJCDQLGSSPP-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 65.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.40
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole?

The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole (CID 171679165) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole.

What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole?

The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(CC2CC(c3cccc(-c4ncccn4)c3)=NO2)n1.

What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole?

The InChIKey is IZCXJCDQLGSSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-9-14(2)24(22-13)12-17-11-18(23-25-17)15-5-3-6-16(10-15)19-20-7-4-8-21-19/h3-10,17H,11-12H2,1-2H3.

What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole?

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 333.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).