2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

C24H21ClN2O3 — CID 54859022

About 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54859022) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• PubChem CID: 54859022
• Molecular Formula: C24H21ClN2O3
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.12
• IUPAC Name: 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• SMILES: Cc1cc2nc(Cc3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2cc1C
• InChI: InChI=1S/C24H21ClN2O3/c1-15-11-20-22(12-16(15)2)30-24(27-20)13-17-7-9-18(10-8-17)26-23(28)14-29-21-6-4-3-5-19(21)25/h3-12H,13-14H2,1-2H3,(H,26,28)
• InChIKey: MCBBEMBZOSAABL-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54859022) is 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is Cc1cc2nc(Cc3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2cc1C.

What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The InChIKey is MCBBEMBZOSAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15-11-20-22(12-16(15)2)30-24(27-20)13-17-7-9-18(10-8-17)26-23(28)14-29-21-6-4-3-5-19(21)25/h3-12H,13-14H2,1-2H3,(H,26,28).

What are the key properties of 2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 420.90 g/mol, XLogP of 5.71, 6 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-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54859022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).