N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide

C27H22N2O4 — CID 3581240

About N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 3581240) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
• PubChem CID: 3581240
• Molecular Formula: C27H22N2O4
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
• SMILES: COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1
• InChI: InChI=1S/C27H22N2O4/c1-17-7-8-20(27-29-24-15-21(31-2)11-12-25(24)33-27)14-23(17)28-26(30)16-32-22-10-9-18-5-3-4-6-19(18)13-22/h3-15H,16H2,1-2H3,(H,28,30)
• InChIKey: KCDJAYVNKMRSSR-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?

The IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide (CID 3581240) is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide.

What is the SMILES notation for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?

The canonical SMILES for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1.

What is the InChIKey of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?

The InChIKey is KCDJAYVNKMRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-17-7-8-20(27-29-24-15-21(31-2)11-12-25(24)33-27)14-23(17)28-26(30)16-32-22-10-9-18-5-3-4-6-19(18)13-22/h3-15H,16H2,1-2H3,(H,28,30).

What are the key properties of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 438.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).