3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

C21H14ClFN4O3 — CID 122303196

About 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122303196) has the molecular formula C21H14ClFN4O3 and a molecular weight of 424.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 122303196
• Molecular Formula: C21H14ClFN4O3
• Molecular Weight: 424.82 g/mol
• Exact Mass: 424.07
• IUPAC Name: 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnc(Oc2ccccc2F)nc1
• InChI: InChI=1S/C21H14ClFN4O3/c1-12-18(19(27-30-12)14-6-2-3-7-15(14)22)20(28)26-13-10-24-21(25-11-13)29-17-9-5-4-8-16(17)23/h2-11H,1H3,(H,26,28)
• InChIKey: PBKHNSHKIYJEKJ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.82
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122303196) is 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnc(Oc2ccccc2F)nc1.

What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is PBKHNSHKIYJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O3/c1-12-18(19(27-30-12)14-6-2-3-7-15(14)22)20(28)26-13-10-24-21(25-11-13)29-17-9-5-4-8-16(17)23/h2-11H,1H3,(H,26,28).

What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 424.82 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122303196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).