2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

C24H21N3O3 — CID 44616215

About 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 44616215) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
• PubChem CID: 44616215
• Molecular Formula: C24H21N3O3
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.16
• IUPAC Name: 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
• SMILES: N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1
• InChI: InChI=1S/C24H21N3O3/c25-15-21-24(27-12-4-1-5-13-27)30-23(26-21)22-11-10-20(29-22)16-28-19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14H,1,4-5,12-13,16H2
• InChIKey: IYWDZXVXORTDSH-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 75.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?

The IUPAC name of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 44616215) is 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1.

What is the InChIKey of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?

The InChIKey is IYWDZXVXORTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-15-21-24(27-12-4-1-5-13-27)30-23(26-21)22-11-10-20(29-22)16-28-19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14H,1,4-5,12-13,16H2.

What are the key properties of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?

2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).