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

C19H9ClF5N3O — CID 123684853

IUPAC3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1ccccc1-n1ncc(-c2cc(-c3c(F)cccc3Cl)no2)c1C(F)(F)F
InChIInChI=1S/C19H9ClF5N3O/c20-11-4-3-6-13(22)17(11)14-8-16(29-27-14)10-9-26-28(18(10)19(23,24)25)15-7-2-1-5-12(15)21/h1-9H
InChIKeyAIOLQVNPJCYYMX-UHFFFAOYSA-N
MW425.74 g/mol
LogP6.14
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 123684853) has the molecular formula C19H9ClF5N3O and a molecular weight of 425.74 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID123684853
Molecular FormulaC19H9ClF5N3O
Molecular Weight425.74 g/mol
Exact Mass425.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1ccccc1-n1ncc(-c2cc(-c3c(F)cccc3Cl)no2)c1C(F)(F)F
InChIInChI=1S/C19H9ClF5N3O/c20-11-4-3-6-13(22)17(11)14-8-16(29-27-14)10-9-26-28(18(10)19(23,24)25)15-7-2-1-5-12(15)21/h1-9H
InChIKeyAIOLQVNPJCYYMX-UHFFFAOYSA-N
XLogP6.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 674657
Methyl 5-(1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate
CID 53362039
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2,6-dichlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580095
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580287
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
(4-Chlorophenyl)-[5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrazol-1-yl]methanone
CID 2745581

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 123684853) is 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is Fc1ccccc1-n1ncc(-c2cc(-c3c(F)cccc3Cl)no2)c1C(F)(F)F.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is AIOLQVNPJCYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF5N3O/c20-11-4-3-6-13(22)17(11)14-8-16(29-27-14)10-9-26-28(18(10)19(23,24)25)15-7-2-1-5-12(15)21/h1-9H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 425.74 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 123684853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).