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

C22H24N4O4 — CID 16958110

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

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 16958110) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
• PubChem CID: 16958110
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
• SMILES: Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCN4CCOCC4)o3)o2)c1
• InChI: InChI=1S/C22H24N4O4/c1-16-3-2-4-17(13-16)28-15-18-5-6-20(29-18)22-25-19(14-23)21(30-22)24-7-8-26-9-11-27-12-10-26/h2-6,13,24H,7-12,15H2,1H3
• InChIKey: VYXUGASAHGNXNL-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 96.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 16958110) is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

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

The canonical SMILES for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCN4CCOCC4)o3)o2)c1.

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

The InChIKey is VYXUGASAHGNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-16-3-2-4-17(13-16)28-15-18-5-6-20(29-18)22-25-19(14-23)21(30-22)24-7-8-26-9-11-27-12-10-26/h2-6,13,24H,7-12,15H2,1H3.

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

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 408.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16958110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).