4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

C27H28N2O3 — CID 17092486

About 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 17092486) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
• PubChem CID: 17092486
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
• SMILES: CCC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1
• InChI: InChI=1S/C27H28N2O3/c1-6-19(5)31-22-11-9-20(10-12-22)26(30)28-23-15-21(8-7-16(23)2)27-29-24-13-17(3)18(4)14-25(24)32-27/h7-15,19H,6H2,1-5H3,(H,28,30)
• InChIKey: IGAUFMRFJMKRTD-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?

The IUPAC name of 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (CID 17092486) is 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.

What is the SMILES notation for 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?

The canonical SMILES for 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1.

What is the InChIKey of 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?

The InChIKey is IGAUFMRFJMKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-6-19(5)31-22-11-9-20(10-12-22)26(30)28-23-15-21(8-7-16(23)2)27-29-24-13-17(3)18(4)14-25(24)32-27/h7-15,19H,6H2,1-5H3,(H,28,30).

What are the key properties of 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?

4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 17092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).