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

C25H24N2O4 — CID 4574036

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

2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 4574036) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• PubChem CID: 4574036
• Molecular Formula: C25H24N2O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.17
• IUPAC Name: 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• SMILES: COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1OC
• InChI: InChI=1S/C25H24N2O4/c1-15(2)16-9-12-23-20(13-16)27-25(31-23)17-10-11-22(30-4)19(14-17)26-24(28)18-7-5-6-8-21(18)29-3/h5-15H,1-4H3,(H,26,28)
• InChIKey: ODZJLQVUAMRHHO-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 4574036) is 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

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

The canonical SMILES for 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1OC.

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

The InChIKey is ODZJLQVUAMRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-15(2)16-9-12-23-20(13-16)27-25(31-23)17-10-11-22(30-4)19(14-17)26-24(28)18-7-5-6-8-21(18)29-3/h5-15H,1-4H3,(H,26,28).

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

2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 4574036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).