N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide

C15H8F4N2O2 — CID 11988534

IUPACN-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccc(F)cc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F4N2O2/c16-8-5-6-12-10(7-8)13(21-23-12)20-14(22)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyAXHZKDFOYHGKOV-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.24
Rot. Bonds2

About N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide

N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 11988534) has the molecular formula C15H8F4N2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID11988534
Molecular FormulaC15H8F4N2O2
Molecular Weight324.23 g/mol
Exact Mass324.05
IUPAC NameN-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccc(F)cc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F4N2O2/c16-8-5-6-12-10(7-8)13(21-23-12)20-14(22)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyAXHZKDFOYHGKOV-UHFFFAOYSA-N
XLogP4.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide (CID 11988534) is N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1noc2ccc(F)cc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AXHZKDFOYHGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O2/c16-8-5-6-12-10(7-8)13(21-23-12)20-14(22)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21,22).
What are the key properties of N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide?
N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 324.23 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 11988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).