2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

C20H14ClN5O3S — CID 176859355

About 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 176859355) has the molecular formula C20H14ClN5O3S and a molecular weight of 439.88 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
• PubChem CID: 176859355
• Molecular Formula: C20H14ClN5O3S
• Molecular Weight: 439.88 g/mol
• Exact Mass: 439.05
• IUPAC Name: 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
• SMILES: CN(C(=O)c1ccc(Cl)cc1)c1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)o1
• InChI: InChI=1S/C20H14ClN5O3S/c1-26(18(28)12-5-7-13(21)8-6-12)20-23-10-16(29-20)17(27)25-19-24-15(11-30-19)14-4-2-3-9-22-14/h2-11H,1H3,(H,24,25,27)
• InChIKey: SVHPSRMZKBSDKT-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.88
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (CID 176859355) is 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is CN(C(=O)c1ccc(Cl)cc1)c1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)o1.

What is the InChIKey of 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The InChIKey is SVHPSRMZKBSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O3S/c1-26(18(28)12-5-7-13(21)8-6-12)20-23-10-16(29-20)17(27)25-19-24-15(11-30-19)14-4-2-3-9-22-14/h2-11H,1H3,(H,24,25,27).

What are the key properties of 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).