2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide

C17H14F3N3O3 — CID 126452314

About 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide (PubChem CID 126452314) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
• PubChem CID: 126452314
• Molecular Formula: C17H14F3N3O3
• Molecular Weight: 365.31 g/mol
• Exact Mass: 365.10
• IUPAC Name: 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
• SMILES: Cc1ccc2oc(=O)n(CC(=O)N[C@@H](c3cccnc3)C(F)(F)F)c2c1
• InChI: InChI=1S/C17H14F3N3O3/c1-10-4-5-13-12(7-10)23(16(25)26-13)9-14(24)22-15(17(18,19)20)11-3-2-6-21-8-11/h2-8,15H,9H2,1H3,(H,22,24)/t15-/m0/s1
• InChIKey: SRDNUAIAYNSQAC-HNNXBMFYSA-N
• XLogP: 2.72
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.31
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?

The IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide (CID 126452314) is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide.

What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?

The canonical SMILES for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide is Cc1ccc2oc(=O)n(CC(=O)N[C@@H](c3cccnc3)C(F)(F)F)c2c1.

What is the InChIKey of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?

The InChIKey is SRDNUAIAYNSQAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-10-4-5-13-12(7-10)23(16(25)26-13)9-14(24)22-15(17(18,19)20)11-3-2-6-21-8-11/h2-8,15H,9H2,1H3,(H,22,24)/t15-/m0/s1.

What are the key properties of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide has a molecular weight of 365.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 126452314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).