7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

C14H7F6N3O — CID 45484895

IUPAC7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cn1
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)9-3-1-2-8-11(9)24-23-12(8)22-7-4-5-10(21-6-7)14(18,19)20/h1-6H,(H,22,23)
InChIKeyOXUXUEMXAYHJBG-UHFFFAOYSA-N
MW347.22 g/mol
LogP5.00
Rot. Bonds2

About 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (PubChem CID 45484895) has the molecular formula C14H7F6N3O and a molecular weight of 347.22 g/mol. Its IUPAC name is 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
PubChem CID45484895
Molecular FormulaC14H7F6N3O
Molecular Weight347.22 g/mol
Exact Mass347.05
IUPAC Name7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cn1
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)9-3-1-2-8-11(9)24-23-12(8)22-7-4-5-10(21-6-7)14(18,19)20/h1-6H,(H,22,23)
InChIKeyOXUXUEMXAYHJBG-UHFFFAOYSA-N
XLogP5.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.22
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (CID 45484895) is 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cn1.
What is the InChIKey of 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The InChIKey is OXUXUEMXAYHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O/c15-13(16,17)9-3-1-2-8-11(9)24-23-12(8)22-7-4-5-10(21-6-7)14(18,19)20/h1-6H,(H,22,23).
What are the key properties of 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine has a molecular weight of 347.22 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).