3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

C23H15F4N5O3 — CID 58577319

IUPAC3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(C(F)(F)F)c3)n2)c(F)c1
InChIInChI=1S/C23H15F4N5O3/c24-17-13-15(30-10-11-35-22(30)34)4-5-18(17)31-9-7-20(33)21(29-31)19-6-8-28-32(19)16-3-1-2-14(12-16)23(25,26)27/h1-9,12-13H,10-11H2
InChIKeySVVSRGCBMJWTMX-UHFFFAOYSA-N
MW485.40 g/mol
LogP4.20
Rot. Bonds4

About 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58577319) has the molecular formula C23H15F4N5O3 and a molecular weight of 485.40 g/mol. Its IUPAC name is 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58577319
Molecular FormulaC23H15F4N5O3
Molecular Weight485.40 g/mol
Exact Mass485.11
IUPAC Name3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(C(F)(F)F)c3)n2)c(F)c1
InChIInChI=1S/C23H15F4N5O3/c24-17-13-15(30-10-11-35-22(30)34)4-5-18(17)31-9-7-20(33)21(29-31)19-6-8-28-32(19)16-3-1-2-14(12-16)23(25,26)27/h1-9,12-13H,10-11H2
InChIKeySVVSRGCBMJWTMX-UHFFFAOYSA-N
XLogP4.20
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 58577319) is 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(C(F)(F)F)c3)n2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SVVSRGCBMJWTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5O3/c24-17-13-15(30-10-11-35-22(30)34)4-5-18(17)31-9-7-20(33)21(29-31)19-6-8-28-32(19)16-3-1-2-14(12-16)23(25,26)27/h1-9,12-13H,10-11H2.
What are the key properties of 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 485.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[4-oxo-3-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58577319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).