2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide

C₄₅H₄₂Cl₂F₂N₈O₆ — CID 167560687

About 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 167560687) has the molecular formula C₄₅H₄₂Cl₂F₂N₈O₆ and a molecular weight of 899.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
• PubChem CID: 167560687
• Molecular Formula: C₄₅H₄₂Cl₂F₂N₈O₆
• Molecular Weight: 899.78 g/mol
• Exact Mass: 898.26
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
• SMILES: NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCCCC2)cc1.NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C23H22ClFN4O3.C22H20ClFN4O3/c24-16-7-4-8-17(25)18(16)22-29-19(20(26)30)23(32-22)28-15-11-9-13(10-12-15)21(31)27-14-5-2-1-3-6-14;23-15-5-4-6-16(24)17(15)20-27-18(19(25)29)21(31-20)26-14-9-7-13(8-10-14)22(30)28-11-2-1-3-12-28/h4,7-12,14,28H,1-3,5-6H2,(H2,26,30)(H,27,31);4-10,26H,1-3,11-12H2,(H2,25,29)
• InChIKey: DPPXRFQASDRPEX-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 211.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.78
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide (CID 167560687) is 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCCCC2)cc1.NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)NC2CCCCC2)cc1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide?

The InChIKey is DPPXRFQASDRPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O3.C22H20ClFN4O3/c24-16-7-4-8-17(25)18(16)22-29-19(20(26)30)23(32-22)28-15-11-9-13(10-12-15)21(31)27-14-5-2-1-3-6-14;23-15-5-4-6-16(24)17(15)20-27-18(19(25)29)21(31-20)26-14-9-7-13(8-10-14)22(30)28-11-2-1-3-12-28/h4,7-12,14,28H,1-3,5-6H2,(H2,26,30)(H,27,31);4-10,26H,1-3,11-12H2,(H2,25,29).

What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide?

2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 899.78 g/mol, XLogP of 9.64, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167560687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167560687 — identifiers, structure, computed properties (public domain)

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