N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C20H22N2O2S — CID 31759523

About N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 31759523) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 31759523
• Molecular Formula: C20H22N2O2S
• Molecular Weight: 354.48 g/mol
• Exact Mass: 354.14
• IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)Cc1nc(-c2cccs2)oc1C
• InChI: InChI=1S/C20H22N2O2S/c1-12(2)15-8-5-7-13(3)19(15)22-18(23)11-16-14(4)24-20(21-16)17-9-6-10-25-17/h5-10,12H,11H2,1-4H3,(H,22,23)
• InChIKey: PUIXZGINIFALRS-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.48
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 31759523) is N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cc1nc(-c2cccs2)oc1C.

What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The InChIKey is PUIXZGINIFALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12(2)15-8-5-7-13(3)19(15)22-18(23)11-16-14(4)24-20(21-16)17-9-6-10-25-17/h5-10,12H,11H2,1-4H3,(H,22,23).

What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 354.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 31759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).