[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C26H31N3O2 — CID 42567137

About [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 42567137) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
• PubChem CID: 42567137
• Molecular Formula: C26H31N3O2
• Molecular Weight: 417.55 g/mol
• Exact Mass: 417.24
• IUPAC Name: [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
• SMILES: Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(=O)N2CCCCC2)CC1
• InChI: InChI=1S/C26H31N3O2/c1-19-24(27-25(31-19)23-10-9-20-7-3-4-8-22(20)17-23)18-28-15-11-21(12-16-28)26(30)29-13-5-2-6-14-29/h3-4,7-10,17,21H,2,5-6,11-16,18H2,1H3
• InChIKey: XOLZPWPNLAYPDA-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.55
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?

The IUPAC name of [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 42567137) is [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(=O)N2CCCCC2)CC1.

What is the InChIKey of [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?

The InChIKey is XOLZPWPNLAYPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19-24(27-25(31-19)23-10-9-20-7-3-4-8-22(20)17-23)18-28-15-11-21(12-16-28)26(30)29-13-5-2-6-14-29/h3-4,7-10,17,21H,2,5-6,11-16,18H2,1H3.

What are the key properties of [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?

[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 417.55 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42567137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).