N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

C₁₇H₁₆N₂O₂S — CID 46347253

About N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347253) has the molecular formula C₁₇H₁₆N₂O₂S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 46347253
• Molecular Formula: C₁₇H₁₆N₂O₂S
• Molecular Weight: 312.39 g/mol
• Exact Mass: 312.09
• IUPAC Name: N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccc(C)c(NC(=O)c2ncoc2-c2ccc(C)s2)c1
• InChI: InChI=1S/C17H16N2O2S/c1-10-4-5-11(2)13(8-10)19-17(20)15-16(21-9-18-15)14-7-6-12(3)22-14/h4-9H,1-3H3,(H,19,20)
• InChIKey: MBJSJTCFTGVWLR-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.39
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347253) is N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ncoc2-c2ccc(C)s2)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?

The InChIKey is MBJSJTCFTGVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-4-5-11(2)13(8-10)19-17(20)15-16(21-9-18-15)14-7-6-12(3)22-14/h4-9H,1-3H3,(H,19,20).

What are the key properties of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?

N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46347253 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.