2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide

C20H26N2O3 — CID 42279138

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide (PubChem CID 42279138) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
• PubChem CID: 42279138
• Molecular Formula: C20H26N2O3
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.19
• IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
• SMILES: Cc1ccc(C(C)C)c(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1
• InChI: InChI=1S/C20H26N2O3/c1-12(2)15-7-5-14(4)10-18(15)24-11-19(23)21-20-16-9-13(3)6-8-17(16)22-25-20/h5,7,10,12-13H,6,8-9,11H2,1-4H3,(H,21,23)/t13-/m0/s1
• InChIKey: UNDMAZFEJZMDAI-ZDUSSCGKSA-N
• XLogP: 4.25
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?

The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide (CID 42279138) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide.

What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?

The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1.

What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?

The InChIKey is UNDMAZFEJZMDAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12(2)15-7-5-14(4)10-18(15)24-11-19(23)21-20-16-9-13(3)6-8-17(16)22-25-20/h5,7,10,12-13H,6,8-9,11H2,1-4H3,(H,21,23)/t13-/m0/s1.

What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide?

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 42279138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).