4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine

C29H25N3O2 — CID 91211472

About 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine

4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine (PubChem CID 91211472) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
• PubChem CID: 91211472
• Molecular Formula: C29H25N3O2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.19
• IUPAC Name: 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
• SMILES: c1cc(-c2cnco2)cc(-c2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1
• InChI: InChI=1S/C29H25N3O2/c1-2-7-28-26(23-8-9-24(31-17-23)19-32-12-14-33-15-13-32)11-10-25(27(28)6-1)21-4-3-5-22(16-21)29-18-30-20-34-29/h1-11,16-18,20H,12-15,19H2
• InChIKey: XOGKWQBUDGYSAT-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 51.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine (CID 91211472) is 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine.

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

The canonical SMILES for 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine is c1cc(-c2cnco2)cc(-c2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1.

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

The InChIKey is XOGKWQBUDGYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-2-7-28-26(23-8-9-24(31-17-23)19-32-12-14-33-15-13-32)11-10-25(27(28)6-1)21-4-3-5-22(16-21)29-18-30-20-34-29/h1-11,16-18,20H,12-15,19H2.

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

4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine has a molecular weight of 447.54 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 91211472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).