5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole

C14H8F4N2O2 — CID 14771602

IUPAC5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc12
InChIInChI=1S/C14H8F4N2O2/c1-7-10-5-9(2-3-12(10)22-20-7)21-13-11(15)4-8(6-19-13)14(16,17)18/h2-6H,1H3
InChIKeyWSKIXDWFBNZXEK-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.48
Rot. Bonds2

About 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole

5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole (PubChem CID 14771602) has the molecular formula C14H8F4N2O2 and a molecular weight of 312.22 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole
PubChem CID14771602
Molecular FormulaC14H8F4N2O2
Molecular Weight312.22 g/mol
Exact Mass312.05
IUPAC Name5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc12
InChIInChI=1S/C14H8F4N2O2/c1-7-10-5-9(2-3-12(10)22-20-7)21-13-11(15)4-8(6-19-13)14(16,17)18/h2-6H,1H3
InChIKeyWSKIXDWFBNZXEK-UHFFFAOYSA-N
XLogP4.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole (CID 14771602) is 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole is Cc1noc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc12.
What is the InChIKey of 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole?
The InChIKey is WSKIXDWFBNZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O2/c1-7-10-5-9(2-3-12(10)22-20-7)21-13-11(15)4-8(6-19-13)14(16,17)18/h2-6H,1H3.
What are the key properties of 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole?
5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole has a molecular weight of 312.22 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 14771602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).