2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide

C26H26N2O3 — CID 30308084

About 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide

2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 30308084) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide
• PubChem CID: 30308084
• Molecular Formula: C26H26N2O3
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.19
• IUPAC Name: 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide
• SMILES: CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccccc4)cc3)nc2c1
• InChI: InChI=1S/C26H26N2O3/c1-17(2)19-12-15-23-22(16-19)28-24(30-23)18-10-13-20(14-11-18)27-25(29)26(3,4)31-21-8-6-5-7-9-21/h5-17H,1-4H3,(H,27,29)
• InChIKey: AUAIJBINXXPWFL-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide?

The IUPAC name of 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide (CID 30308084) is 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide.

What is the SMILES notation for 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide?

The canonical SMILES for 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide is CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccccc4)cc3)nc2c1.

What is the InChIKey of 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide?

The InChIKey is AUAIJBINXXPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17(2)19-12-15-23-22(16-19)28-24(30-23)18-10-13-20(14-11-18)27-25(29)26(3,4)31-21-8-6-5-7-9-21/h5-17H,1-4H3,(H,27,29).

What are the key properties of 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide?

2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 30308084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).