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

C21H18N4O2S — CID 55699473

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

5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 55699473) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 55699473
• Molecular Formula: C21H18N4O2S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.12
• IUPAC Name: 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4cccnc4)on3)n2)cc1C
• InChI: InChI=1S/C21H18N4O2S/c1-12-7-14(3)16(8-13(12)2)18-11-28-21(23-18)24-20(26)17-9-19(27-25-17)15-5-4-6-22-10-15/h4-11H,1-3H3,(H,23,24,26)
• InChIKey: KSRUXCFQYRQABZ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 55699473) is 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4cccnc4)on3)n2)cc1C.

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

The InChIKey is KSRUXCFQYRQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-7-14(3)16(8-13(12)2)18-11-28-21(23-18)24-20(26)17-9-19(27-25-17)15-5-4-6-22-10-15/h4-11H,1-3H3,(H,23,24,26).

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

5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55699473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).