5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole

C18H9ClF4N4O — CID 123461787

IUPAC5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccccc3Cl)c2C(F)(F)F)on1
InChIInChI=1S/C18H9ClF4N4O/c19-12-3-1-2-4-15(12)27-17(18(21,22)23)11(8-25-27)16-7-14(26-28-16)10-5-6-24-9-13(10)20/h1-9H
InChIKeyDKIQMADZHUFEHY-UHFFFAOYSA-N
MW408.74 g/mol
LogP5.40
Rot. Bonds3

About 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole

5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole (PubChem CID 123461787) has the molecular formula C18H9ClF4N4O and a molecular weight of 408.74 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole
PubChem CID123461787
Molecular FormulaC18H9ClF4N4O
Molecular Weight408.74 g/mol
Exact Mass408.04
IUPAC Name5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccccc3Cl)c2C(F)(F)F)on1
InChIInChI=1S/C18H9ClF4N4O/c19-12-3-1-2-4-15(12)27-17(18(21,22)23)11(8-25-27)16-7-14(26-28-16)10-5-6-24-9-13(10)20/h1-9H
InChIKeyDKIQMADZHUFEHY-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

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CID 44580095
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CID 44580252
CID 44580252
CID 44580286
CID 44580286
CID 44580287
CID 44580287
CID 44580288
CID 44580288
CID 44580289
CID 44580289
CID 154695807
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CID 45273017
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CID 56730846
CID 56730846

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole (CID 123461787) is 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole is Fc1cnccc1-c1cc(-c2cnn(-c3ccccc3Cl)c2C(F)(F)F)on1.
What is the InChIKey of 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole?
The InChIKey is DKIQMADZHUFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF4N4O/c19-12-3-1-2-4-15(12)27-17(18(21,22)23)11(8-25-27)16-7-14(26-28-16)10-5-6-24-9-13(10)20/h1-9H.
What are the key properties of 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole?
5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-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 5-[1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-fluoro-4-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 123461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).