5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C16H15N3O2S — CID 17423794

About 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 17423794) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 17423794
• Molecular Formula: C16H15N3O2S
• Molecular Weight: 313.38 g/mol
• Exact Mass: 313.09
• IUPAC Name: 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(Cc2cnc(NC(=O)c3cc(C)on3)s2)c1
• InChI: InChI=1S/C16H15N3O2S/c1-10-4-3-5-12(6-10)8-13-9-17-16(22-13)18-15(20)14-7-11(2)21-19-14/h3-7,9H,8H2,1-2H3,(H,17,18,20)
• InChIKey: SVSDGXRTOHUKTD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.38
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 17423794) is 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(Cc2cnc(NC(=O)c3cc(C)on3)s2)c1.

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

The InChIKey is SVSDGXRTOHUKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-4-3-5-12(6-10)8-13-9-17-16(22-13)18-15(20)14-7-11(2)21-19-14/h3-7,9H,8H2,1-2H3,(H,17,18,20).

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

5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).