[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate

C28H24N4O4 — CID 152552895

About [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate

[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate (PubChem CID 152552895) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate.

Molecular Properties

• Compound Name: [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate
• PubChem CID: 152552895
• Molecular Formula: C28H24N4O4
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.18
• IUPAC Name: [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate
• SMILES: CC(=O)Oc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)nc1-c1ccccc1
• InChI: InChI=1S/C28H24N4O4/c1-19-24(30-28(35-19)23-11-7-4-8-12-23)18-34-26-14-13-21(15-29-26)16-32-17-25(36-20(2)33)27(31-32)22-9-5-3-6-10-22/h3-15,17H,16,18H2,1-2H3
• InChIKey: YNWAGOMWRAHCJN-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 92.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate?

The IUPAC name of [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate (CID 152552895) is [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate.

What is the SMILES notation for [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate?

The canonical SMILES for [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate is CC(=O)Oc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)nc1-c1ccccc1.

What is the InChIKey of [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate?

The InChIKey is YNWAGOMWRAHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-19-24(30-28(35-19)23-11-7-4-8-12-23)18-34-26-14-13-21(15-29-26)16-32-17-25(36-20(2)33)27(31-32)22-9-5-3-6-10-22/h3-15,17H,16,18H2,1-2H3.

What are the key properties of [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate?

[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate has a molecular weight of 480.52 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate is sourced from PubChem (CID 152552895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).