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

C17H9F4N5O — CID 123324387

IUPAC3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1
InChIInChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H
InChIKeyDAYWDWGZZRZYFI-UHFFFAOYSA-N
MW375.29 g/mol
LogP4.14
Rot. Bonds3

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

3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 123324387) has the molecular formula C17H9F4N5O and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID123324387
Molecular FormulaC17H9F4N5O
Molecular Weight375.29 g/mol
Exact Mass375.07
IUPAC Name3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1
InChIInChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H
InChIKeyDAYWDWGZZRZYFI-UHFFFAOYSA-N
XLogP4.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 123324387) is 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is Fc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is DAYWDWGZZRZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 375.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 123324387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).