N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide

C17H14F3N3O3 — CID 67511565

About N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide

N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide (PubChem CID 67511565) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
• PubChem CID: 67511565
• Molecular Formula: C17H14F3N3O3
• Molecular Weight: 365.31 g/mol
• Exact Mass: 365.10
• IUPAC Name: N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
• SMILES: CC(NC(=O)c1noc2ccccc12)c1ccc(OCC(F)(F)F)nc1
• InChI: InChI=1S/C17H14F3N3O3/c1-10(11-6-7-14(21-8-11)25-9-17(18,19)20)22-16(24)15-12-4-2-3-5-13(12)26-23-15/h2-8,10H,9H2,1H3,(H,22,24)
• InChIKey: BWRNNOUNAXUOSG-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.31
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide?

The IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide (CID 67511565) is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide.

What is the SMILES notation for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide?

The canonical SMILES for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide is CC(NC(=O)c1noc2ccccc12)c1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide?

The InChIKey is BWRNNOUNAXUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-10(11-6-7-14(21-8-11)25-9-17(18,19)20)22-16(24)15-12-4-2-3-5-13(12)26-23-15/h2-8,10H,9H2,1H3,(H,22,24).

What are the key properties of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide?

N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67511565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).