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

C25H23ClN2O3 — CID 54859006

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

2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54859006) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• PubChem CID: 54859006
• Molecular Formula: C25H23ClN2O3
• Molecular Weight: 434.92 g/mol
• Exact Mass: 434.14
• IUPAC Name: 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• SMILES: CC(C)c1ccc2oc(Cc3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1
• InChI: InChI=1S/C25H23ClN2O3/c1-16(2)18-9-12-23-21(14-18)28-25(31-23)13-17-7-10-19(11-8-17)27-24(29)15-30-22-6-4-3-5-20(22)26/h3-12,14,16H,13,15H2,1-2H3,(H,27,29)
• InChIKey: NSJVAMPYDJAUAZ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.92
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54859006) is 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

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

The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is CC(C)c1ccc2oc(Cc3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1.

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

The InChIKey is NSJVAMPYDJAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-16(2)18-9-12-23-21(14-18)28-25(31-23)13-17-7-10-19(11-8-17)27-24(29)15-30-22-6-4-3-5-20(22)26/h3-12,14,16H,13,15H2,1-2H3,(H,27,29).

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

2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 434.92 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54859006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).