3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

C18H9ClF4N4O — CID 123867865

IUPAC3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccn3)c2C(F)(F)F)on1
InChIInChI=1S/C18H9ClF4N4O/c19-11-4-3-5-12(20)16(11)13-8-14(28-26-13)10-9-25-27(17(10)18(21,22)23)15-6-1-2-7-24-15/h1-9H
InChIKeyCDHWUTYSOXQSEI-UHFFFAOYSA-N
MW408.74 g/mol
LogP5.40
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 123867865) has the molecular formula C18H9ClF4N4O and a molecular weight of 408.74 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID123867865
Molecular FormulaC18H9ClF4N4O
Molecular Weight408.74 g/mol
Exact Mass408.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccn3)c2C(F)(F)F)on1
InChIInChI=1S/C18H9ClF4N4O/c19-11-4-3-5-12(20)16(11)13-8-14(28-26-13)10-9-25-27(17(10)18(21,22)23)15-6-1-2-7-24-15/h1-9H
InChIKeyCDHWUTYSOXQSEI-UHFFFAOYSA-N
XLogP5.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
CID 25204930
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-5-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580288
3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580289
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
3-(2-Chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole
CID 71544322
WO2022098970, Example 330
CID 163291913
WO2022098970, Example 302
CID 163292176
WO2022098970, Example 321
CID 164607713
3-[3-[[4-(Pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682567
WO2022098970, Example 317
CID 163291869

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 123867865) is 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is Fc1cccc(Cl)c1-c1cc(-c2cnn(-c3ccccn3)c2C(F)(F)F)on1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is CDHWUTYSOXQSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF4N4O/c19-11-4-3-5-12(20)16(11)13-8-14(28-26-13)10-9-25-27(17(10)18(21,22)23)15-6-1-2-7-24-15/h1-9H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 408.74 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 123867865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).