2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C17H15F3N4O3 — CID 55933393

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-3-7-22-15(11)23-9-8-21-14(25)10-24-12-5-1-2-6-13(12)27-16(24)26/h1-7H,8-10H2,(H,21,25)(H,22,23)
InChIKeyTTXMAJGNIIFQDH-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55933393) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID55933393
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-3-7-22-15(11)23-9-8-21-14(25)10-24-12-5-1-2-6-13(12)27-16(24)26/h1-7H,8-10H2,(H,21,25)(H,22,23)
InChIKeyTTXMAJGNIIFQDH-UHFFFAOYSA-N
XLogP2.24
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55933393) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is TTXMAJGNIIFQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c18-17(19,20)11-4-3-7-22-15(11)23-9-8-21-14(25)10-24-12-5-1-2-6-13(12)27-16(24)26/h1-7H,8-10H2,(H,21,25)(H,22,23).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 380.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55933393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).