2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

C19H14Cl2F3N3O4 — CID 2740609

About 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 2740609) has the molecular formula C19H14Cl2F3N3O4 and a molecular weight of 476.24 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
• PubChem CID: 2740609
• Molecular Formula: C19H14Cl2F3N3O4
• Molecular Weight: 476.24 g/mol
• Exact Mass: 475.03
• IUPAC Name: 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
• SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCCOc1cc(C(F)(F)F)ccn1
• InChI: InChI=1S/C19H14Cl2F3N3O4/c1-10-16(17(27-31-10)15-12(20)3-2-4-13(15)21)26-18(28)30-8-7-29-14-9-11(5-6-25-14)19(22,23)24/h2-6,9H,7-8H2,1H3,(H,26,28)
• InChIKey: HPXQKKHHPNOSFU-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.24
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?

The IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 2740609) is 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

What is the SMILES notation for 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?

The canonical SMILES for 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCCOc1cc(C(F)(F)F)ccn1.

What is the InChIKey of 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?

The InChIKey is HPXQKKHHPNOSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O4/c1-10-16(17(27-31-10)15-12(20)3-2-4-13(15)21)26-18(28)30-8-7-29-14-9-11(5-6-25-14)19(22,23)24/h2-6,9H,7-8H2,1H3,(H,26,28).

What are the key properties of 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?

2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 476.24 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 2740609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).