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

C25H24N2O2 — CID 23850230

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

2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 23850230) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• PubChem CID: 23850230
• Molecular Formula: C25H24N2O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• SMILES: Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1C
• InChI: InChI=1S/C25H24N2O2/c1-15(2)18-11-12-23-22(13-18)27-25(29-23)19-10-9-17(4)21(14-19)26-24(28)20-8-6-5-7-16(20)3/h5-15H,1-4H3,(H,26,28)
• InChIKey: VMRRAZKDYOHUDM-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 23850230) is 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1C.

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

The InChIKey is VMRRAZKDYOHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-15(2)18-11-12-23-22(13-18)27-25(29-23)19-10-9-17(4)21(14-19)26-24(28)20-8-6-5-7-16(20)3/h5-15H,1-4H3,(H,26,28).

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

2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 23850230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).