2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole

C11H6F3N3O — CID 20807223

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3o2)n[nH]1
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10/h1-5H,(H,16,17)
InChIKeyVDZOREQYTIJDDH-UHFFFAOYSA-N
MW253.18 g/mol
LogP3.24
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole (PubChem CID 20807223) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole
PubChem CID20807223
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3o2)n[nH]1
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10/h1-5H,(H,16,17)
InChIKeyVDZOREQYTIJDDH-UHFFFAOYSA-N
XLogP3.24
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Pyrazol-3-yl)benzoxazole
CID 25104005
2-(1H-Pyrazol-4-yl)-benzoxazole
CID 904187
6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104007
5-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104008
6-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104130
6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
CID 122185527
6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
CID 122185528
2-Methyl-1,3-benzoxazol-5-amine
CID 737920
5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104128
2-(Trifluoromethyl)-1,3-benzoxazol-5-amine
CID 14498597
2-(Difluoromethyl)-1,3-benzoxazol-5-amine
CID 28973367
2-Benzoxazoleacetonitrile, a-(phenylhydrazono)-
CID 9604790

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole (CID 20807223) is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole is FC(F)(F)c1cc(-c2nc3ccccc3o2)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole?
The InChIKey is VDZOREQYTIJDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10/h1-5H,(H,16,17).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole?
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole has a molecular weight of 253.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 20807223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).