N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide

C25H24N2O2 — CID 2210002

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide (PubChem CID 2210002) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
• PubChem CID: 2210002
• Molecular Formula: C25H24N2O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
• SMILES: Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1
• InChI: InChI=1S/C25H24N2O2/c1-14-9-15(2)12-19(11-14)24(28)26-21-8-6-7-20(18(21)5)25-27-22-13-16(3)10-17(4)23(22)29-25/h6-13H,1-5H3,(H,26,28)
• InChIKey: DXWVGNTVGXINPC-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide?

The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide (CID 2210002) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide.

What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide?

The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1.

What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide?

The InChIKey is DXWVGNTVGXINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-14-9-15(2)12-19(11-14)24(28)26-21-8-6-7-20(18(21)5)25-27-22-13-16(3)10-17(4)23(22)29-25/h6-13H,1-5H3,(H,26,28).

What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide?

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 2210002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).