2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide

C22H17Cl2F5N2O2 — CID 53477082

About 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide

2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide (PubChem CID 53477082) has the molecular formula C22H17Cl2F5N2O2 and a molecular weight of 507.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide
• PubChem CID: 53477082
• Molecular Formula: C22H17Cl2F5N2O2
• Molecular Weight: 507.29 g/mol
• Exact Mass: 506.06
• IUPAC Name: 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide
• SMILES: O=C(CC1CC1)NCc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1F
• InChI: InChI=1S/C22H17Cl2F5N2O2/c23-15-7-14(8-16(24)20(15)26)21(22(27,28)29)9-18(31-33-21)12-3-4-17(25)13(6-12)10-30-19(32)5-11-1-2-11/h3-4,6-8,11H,1-2,5,9-10H2,(H,30,32)
• InChIKey: SRJQDXBNSCJOGA-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.29
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide (CID 53477082) is 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide is O=C(CC1CC1)NCc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1F.

What is the InChIKey of 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

The InChIKey is SRJQDXBNSCJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F5N2O2/c23-15-7-14(8-16(24)20(15)26)21(22(27,28)29)9-18(31-33-21)12-3-4-17(25)13(6-12)10-30-19(32)5-11-1-2-11/h3-4,6-8,11H,1-2,5,9-10H2,(H,30,32).

What are the key properties of 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide has a molecular weight of 507.29 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 53477082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).