2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

C21H16ClN5O2 — CID 67198283

About 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67198283) has the molecular formula C21H16ClN5O2 and a molecular weight of 405.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
• PubChem CID: 67198283
• Molecular Formula: C21H16ClN5O2
• Molecular Weight: 405.85 g/mol
• Exact Mass: 405.10
• IUPAC Name: 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
• SMILES: Cc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)n1
• InChI: InChI=1S/C21H16ClN5O2/c1-13-5-4-8-17(25-13)20-19(16-9-10-23-12-24-16)21(29-27-20)26-18(28)11-14-6-2-3-7-15(14)22/h2-10,12H,11H2,1H3,(H,26,28)
• InChIKey: QDXUKZJSSHPXJH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.85
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67198283) is 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)n1.

What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?

The InChIKey is QDXUKZJSSHPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O2/c1-13-5-4-8-17(25-13)20-19(16-9-10-23-12-24-16)21(29-27-20)26-18(28)11-14-6-2-3-7-15(14)22/h2-10,12H,11H2,1H3,(H,26,28).

What are the key properties of 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?

2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 405.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67198283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).