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

C24H18FN5O2S — CID 55608043

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

3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 55608043) has the molecular formula C24H18FN5O2S and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
• PubChem CID: 55608043
• Molecular Formula: C24H18FN5O2S
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.12
• IUPAC Name: 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
• InChI: InChI=1S/C24H18FN5O2S/c1-14-18(19(29-32-14)16-8-10-17(25)11-9-16)23(31)28-24-27-20(15-6-4-3-5-7-15)21(33-24)22-26-12-13-30(22)2/h3-13H,1-2H3,(H,27,28,31)
• InChIKey: ZEPOGDWUEFIZBG-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 55608043) is 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1.

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

The InChIKey is ZEPOGDWUEFIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2S/c1-14-18(19(29-32-14)16-8-10-17(25)11-9-16)23(31)28-24-27-20(15-6-4-3-5-7-15)21(33-24)22-26-12-13-30(22)2/h3-13H,1-2H3,(H,27,28,31).

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

3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55608043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).