3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C20H12F3N3O2 — CID 58072170

IUPAC3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1conc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-7-4-8-15(11-14)26-10-9-17(27)19(24-26)16-12-28-25-18(16)13-5-2-1-3-6-13/h1-12H
InChIKeyOGQRFYWVKYKIPH-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.57
Rot. Bonds3

About 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 58072170) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID58072170
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1conc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-7-4-8-15(11-14)26-10-9-17(27)19(24-26)16-12-28-25-18(16)13-5-2-1-3-6-13/h1-12H
InChIKeyOGQRFYWVKYKIPH-UHFFFAOYSA-N
XLogP4.57
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 58072170) is 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1conc1-c1ccccc1.
What is the InChIKey of 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is OGQRFYWVKYKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)14-7-4-8-15(11-14)26-10-9-17(27)19(24-26)16-12-28-25-18(16)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 383.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 58072170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).