2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole

C17H10F3N3O — CID 10149848

IUPAC2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)12-4-3-5-13(8-12)23-10-11(9-21-23)16-22-14-6-1-2-7-15(14)24-16/h1-10H
InChIKeyJFKDVCWFZXSAIJ-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.70
Rot. Bonds2

About 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole

2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole (PubChem CID 10149848) has the molecular formula C17H10F3N3O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole
PubChem CID10149848
Molecular FormulaC17H10F3N3O
Molecular Weight329.28 g/mol
Exact Mass329.08
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)12-4-3-5-13(8-12)23-10-11(9-21-23)16-22-14-6-1-2-7-15(14)24-16/h1-10H
InChIKeyJFKDVCWFZXSAIJ-UHFFFAOYSA-N
XLogP4.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole (CID 10149848) is 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole is FC(F)(F)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole?
The InChIKey is JFKDVCWFZXSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O/c18-17(19,20)12-4-3-5-13(8-12)23-10-11(9-21-23)16-22-14-6-1-2-7-15(14)24-16/h1-10H.
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole?
2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole has a molecular weight of 329.28 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 10149848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).