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

C17H18N6O3 — CID 112898734

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

furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 112898734) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 112898734
• Molecular Formula: C17H18N6O3
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.14
• IUPAC Name: furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
• SMILES: Cc1cc(Nc2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)no1
• InChI: InChI=1S/C17H18N6O3/c1-12-11-15(21-26-12)19-14-4-5-18-17(20-14)23-8-6-22(7-9-23)16(24)13-3-2-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,21)
• InChIKey: JNFSUWRCGYHLHT-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 100.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (CID 112898734) is furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(Nc2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)no1.

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

The InChIKey is JNFSUWRCGYHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-12-11-15(21-26-12)19-14-4-5-18-17(20-14)23-8-6-22(7-9-23)16(24)13-3-2-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,21).

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

furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 354.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112898734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).