5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

C27H23FN4O4 — CID 46266130

About 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 46266130) has the molecular formula C27H23FN4O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 46266130
• Molecular Formula: C27H23FN4O4
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.17
• IUPAC Name: 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
• SMILES: Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)o1
• InChI: InChI=1S/C27H23FN4O4/c1-18-4-2-3-5-23(18)34-17-21-10-11-24(35-21)25-30-22(16-29)27(36-25)32-14-12-31(13-15-32)26(33)19-6-8-20(28)9-7-19/h2-11H,12-15,17H2,1H3
• InChIKey: WGDOZDKVQWDRAT-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 95.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 46266130) is 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)o1.

What is the InChIKey of 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?

The InChIKey is WGDOZDKVQWDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O4/c1-18-4-2-3-5-23(18)34-17-21-10-11-24(35-21)25-30-22(16-29)27(36-25)32-14-12-31(13-15-32)26(33)19-6-8-20(28)9-7-19/h2-11H,12-15,17H2,1H3.

What are the key properties of 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?

5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 486.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46266130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).