2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

C17H13F3N2O4 — CID 11988398

IUPAC2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1noc2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C17H13F3N2O4/c1-24-11-6-3-2-5-10(11)16(23)21-15-14-12(25-9-17(18,19)20)7-4-8-13(14)26-22-15/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyGWNYLYKPLJRWEU-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.03
Rot. Bonds5

About 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (PubChem CID 11988398) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
PubChem CID11988398
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1noc2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C17H13F3N2O4/c1-24-11-6-3-2-5-10(11)16(23)21-15-14-12(25-9-17(18,19)20)7-4-8-13(14)26-22-15/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyGWNYLYKPLJRWEU-UHFFFAOYSA-N
XLogP4.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (CID 11988398) is 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1noc2cccc(OCC(F)(F)F)c12.
What is the InChIKey of 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The InChIKey is GWNYLYKPLJRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c1-24-11-6-3-2-5-10(11)16(23)21-15-14-12(25-9-17(18,19)20)7-4-8-13(14)26-22-15/h2-8H,9H2,1H3,(H,21,22,23).
What are the key properties of 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide has a molecular weight of 366.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 11988398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).