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

C27H28N2O4 — CID 30308020

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

N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308020) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
• PubChem CID: 30308020
• Molecular Formula: C27H28N2O4
• Molecular Weight: 444.53 g/mol
• Exact Mass: 444.20
• IUPAC Name: N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
• SMILES: COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)Oc1ccccc1
• InChI: InChI=1S/C27H28N2O4/c1-17(2)18-11-14-24-22(15-18)28-25(32-24)19-12-13-23(31-5)21(16-19)29-26(30)27(3,4)33-20-9-7-6-8-10-20/h6-17H,1-5H3,(H,29,30)
• InChIKey: JIGHVSZMDGMLMJ-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.53
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (CID 30308020) is N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.

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

The canonical SMILES for N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)Oc1ccccc1.

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

The InChIKey is JIGHVSZMDGMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-17(2)18-11-14-24-22(15-18)28-25(32-24)19-12-13-23(31-5)21(16-19)29-26(30)27(3,4)33-20-9-7-6-8-10-20/h6-17H,1-5H3,(H,29,30).

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

N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide has a molecular weight of 444.53 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).