5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one

C17H15FN4O2 — CID 160984444

IUPAC5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESCCC1CN(c2ccc(-c3cnn4ncccc34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN4O2/c1-2-12-10-21(17(23)24-12)11-5-6-13(15(18)8-11)14-9-20-22-16(14)4-3-7-19-22/h3-9,12H,2,10H2,1H3
InChIKeyIFCDFNRWXKMSKY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.27
Rot. Bonds3

About 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one

5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 160984444) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID160984444
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESCCC1CN(c2ccc(-c3cnn4ncccc34)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN4O2/c1-2-12-10-21(17(23)24-12)11-5-6-13(15(18)8-11)14-9-20-22-16(14)4-3-7-19-22/h3-9,12H,2,10H2,1H3
InChIKeyIFCDFNRWXKMSKY-UHFFFAOYSA-N
XLogP3.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921
4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
CID 158139593
(5S)-3-[4-[5-(azidomethyl)-2-pyridinyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045457
(5S)-5-ethyl-3-[3-fluoro-4-[2-(1-methylpyrazol-3-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 90363165
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
N-[[3-[3-fluoro-4-[6-(pyrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274076
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one (CID 160984444) is 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one is CCC1CN(c2ccc(-c3cnn4ncccc34)c(F)c2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IFCDFNRWXKMSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-2-12-10-21(17(23)24-12)11-5-6-13(15(18)8-11)14-9-20-22-16(14)4-3-7-19-22/h3-9,12H,2,10H2,1H3.
What are the key properties of 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one?
5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 326.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluoro-4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 160984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).