3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide

C24H26FN3O5S — CID 43069054

About 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43069054) has the molecular formula C24H26FN3O5S and a molecular weight of 487.55 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide
• PubChem CID: 43069054
• Molecular Formula: C24H26FN3O5S
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.16
• IUPAC Name: 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide
• SMILES: CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C24H26FN3O5S/c1-16(2)32-22-10-9-19(34(30,31)28-11-4-3-5-12-28)14-21(22)26-24(29)23-15-20(27-33-23)17-7-6-8-18(25)13-17/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,26,29)
• InChIKey: QTZUCGILNGSPKE-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide (CID 43069054) is 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2cccc(F)c2)no1.

What is the InChIKey of 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide?

The InChIKey is QTZUCGILNGSPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5S/c1-16(2)32-22-10-9-19(34(30,31)28-11-4-3-5-12-28)14-21(22)26-24(29)23-15-20(27-33-23)17-7-6-8-18(25)13-17/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,26,29).

What are the key properties of 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide?

3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43069054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).