4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide

C26H26N2O2 — CID 54857952

About 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide

4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (PubChem CID 54857952) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
• PubChem CID: 54857952
• Molecular Formula: C26H26N2O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.20
• IUPAC Name: 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
• SMILES: CCc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C(C)C)ccc4o3)cc2)cc1
• InChI: InChI=1S/C26H26N2O2/c1-4-18-5-9-20(10-6-18)26(29)27-22-12-7-19(8-13-22)15-25-28-23-16-21(17(2)3)11-14-24(23)30-25/h5-14,16-17H,4,15H2,1-3H3,(H,27,29)
• InChIKey: DNXJZPICHUGBBA-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?

The IUPAC name of 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (CID 54857952) is 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?

The canonical SMILES for 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C(C)C)ccc4o3)cc2)cc1.

What is the InChIKey of 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?

The InChIKey is DNXJZPICHUGBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-4-18-5-9-20(10-6-18)26(29)27-22-12-7-19(8-13-22)15-25-28-23-16-21(17(2)3)11-14-24(23)30-25/h5-14,16-17H,4,15H2,1-3H3,(H,27,29).

What are the key properties of 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?

4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 54857952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).