5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C20H10Cl2F4N4O2 — CID 19286635

About 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19286635) has the molecular formula C20H10Cl2F4N4O2 and a molecular weight of 485.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19286635
• Molecular Formula: C20H10Cl2F4N4O2
• Molecular Weight: 485.22 g/mol
• Exact Mass: 484.01
• IUPAC Name: 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1cc(-c2ccc(Cl)cc2Cl)on1
• InChI: InChI=1S/C20H10Cl2F4N4O2/c21-9-1-2-10(12(22)5-9)16-7-15(29-32-16)20(31)27-17-3-4-30(28-17)8-11-18(25)13(23)6-14(24)19(11)26/h1-7H,8H2,(H,27,28,31)
• InChIKey: NVMYRAMKHBZKTK-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.22
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 19286635) is 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1cc(-c2ccc(Cl)cc2Cl)on1.

What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is NVMYRAMKHBZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F4N4O2/c21-9-1-2-10(12(22)5-9)16-7-15(29-32-16)20(31)27-17-3-4-30(28-17)8-11-18(25)13(23)6-14(24)19(11)26/h1-7H,8H2,(H,27,28,31).

What are the key properties of 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?

5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 485.22 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19286635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).