[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C24H23N5O4 — CID 121106998

About [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 121106998) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

• Compound Name: [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
• PubChem CID: 121106998
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
• SMILES: CCOc1ccc(-c2cc(N3CCN(C(=O)c4cc(-c5ccco5)on4)CC3)ncn2)cc1
• InChI: InChI=1S/C24H23N5O4/c1-2-31-18-7-5-17(6-8-18)19-15-23(26-16-25-19)28-9-11-29(12-10-28)24(30)20-14-22(33-27-20)21-4-3-13-32-21/h3-8,13-16H,2,9-12H2,1H3
• InChIKey: FNGJRNNPOCYRPS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 97.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?

The IUPAC name of [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 121106998) is [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

What is the SMILES notation for [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?

The canonical SMILES for [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is CCOc1ccc(-c2cc(N3CCN(C(=O)c4cc(-c5ccco5)on4)CC3)ncn2)cc1.

What is the InChIKey of [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?

The InChIKey is FNGJRNNPOCYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-2-31-18-7-5-17(6-8-18)19-15-23(26-16-25-19)28-9-11-29(12-10-28)24(30)20-14-22(33-27-20)21-4-3-13-32-21/h3-8,13-16H,2,9-12H2,1H3.

What are the key properties of [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?

[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 445.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 121106998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).