dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride

C37H29Cl3F8N6O4 — CID 158422454

About dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride

dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride (PubChem CID 158422454) has the molecular formula C37H29Cl3F8N6O4 and a molecular weight of 880.02 g/mol. Its IUPAC name is dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride.

Molecular Properties

• Compound Name: dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride
• PubChem CID: 158422454
• Molecular Formula: C37H29Cl3F8N6O4
• Molecular Weight: 880.02 g/mol
• Exact Mass: 878.12
• IUPAC Name: dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride
• SMILES: CCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.CCc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2ccccc2F)nc1.ClCCl.O=C(Cl)c1ccccc1F
• InChI: InChI=1S/C18H13F4N3O2.C11H10F3N3O.C7H4ClFO.CH2Cl2/c1-2-13-15(25-17(27-13)18(20,21)22)10-7-8-14(23-9-10)24-16(26)11-5-3-4-6-12(11)19;1-2-7-9(6-3-4-8(15)16-5-6)17-10(18-7)11(12,13)14;8-7(10)5-3-1-2-4-6(5)9;2-1-3/h3-9H,2H2,1H3,(H,23,24,26);3-5H,2H2,1H3,(H2,15,16);1-4H;1H2
• InChIKey: HAQNHNFJJZMISC-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 150.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.02
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride?

The IUPAC name of dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride (CID 158422454) is dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride.

What is the SMILES notation for dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride?

The canonical SMILES for dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride is CCc1oc(C(F)(F)F)nc1-c1ccc(N)nc1.CCc1oc(C(F)(F)F)nc1-c1ccc(NC(=O)c2ccccc2F)nc1.ClCCl.O=C(Cl)c1ccccc1F.

What is the InChIKey of dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride?

The InChIKey is HAQNHNFJJZMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2.C11H10F3N3O.C7H4ClFO.CH2Cl2/c1-2-13-15(25-17(27-13)18(20,21)22)10-7-8-14(23-9-10)24-16(26)11-5-3-4-6-12(11)19;1-2-7-9(6-3-4-8(15)16-5-6)17-10(18-7)11(12,13)14;8-7(10)5-3-1-2-4-6(5)9;2-1-3/h3-9H,2H2,1H3,(H,23,24,26);3-5H,2H2,1H3,(H2,15,16);1-4H;1H2.

What are the key properties of dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride?

dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride has a molecular weight of 880.02 g/mol, XLogP of 11.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine;N-[5-[5-ethyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]-2-fluorobenzamide;2-fluorobenzoyl chloride is sourced from PubChem (CID 158422454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).