3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C₁₄H₁₀FN₃O₂S — CID 35998393

About 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 35998393) has the molecular formula C₁₄H₁₀FN₃O₂S and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
• PubChem CID: 35998393
• Molecular Formula: C₁₄H₁₀FN₃O₂S
• Molecular Weight: 303.32 g/mol
• Exact Mass: 303.05
• IUPAC Name: 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nccs1
• InChI: InChI=1S/C14H10FN3O2S/c1-8-11(13(19)17-14-16-6-7-21-14)12(18-20-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,19)
• InChIKey: BLCABYLCLVEBSL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.32
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 35998393) is 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nccs1.

What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?

The InChIKey is BLCABYLCLVEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-8-11(13(19)17-14-16-6-7-21-14)12(18-20-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,19).

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

3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 35998393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 35998393 — identifiers, structure, computed properties (public domain)

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