2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one

C20H19ClN4O3 — CID 169128984

IUPAC2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one
SMILESCc1c(C2=CCOC2)cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C20H19ClN4O3/c1-13-17(15-8-9-27-12-15)10-22-25(20(13)26)11-19-23-18(24-28-19)7-4-14-2-5-16(21)6-3-14/h2-3,5-6,8,10H,4,7,9,11-12H2,1H3
InChIKeyJGLIZLDOLAZESJ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.84
Rot. Bonds6

About 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one

2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one (PubChem CID 169128984) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one
PubChem CID169128984
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one
SMILESCc1c(C2=CCOC2)cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C20H19ClN4O3/c1-13-17(15-8-9-27-12-15)10-22-25(20(13)26)11-19-23-18(24-28-19)7-4-14-2-5-16(21)6-3-14/h2-3,5-6,8,10H,4,7,9,11-12H2,1H3
InChIKeyJGLIZLDOLAZESJ-UHFFFAOYSA-N
XLogP2.84
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128998
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-iodopyridazin-3-one
CID 169128924
5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128922
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 126752238
5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 170571458
5-amino-2-[[3-[(2S)-2-(4-chlorophenyl)propyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169129069
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
CID 170571436
5-amino-2-[[3-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169128836
5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
CID 170571424
2-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-[(1R)-1,2-dihydroxyethyl]-4-methylpyridazin-3-one
CID 170090745
5-amino-2-[[3-[(2S)-2-(4-chlorophenyl)-1,1-dideuterio-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169128892
5-amino-2-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(trideuteriomethyl)pyridazin-3-one
CID 176733417

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one?
The IUPAC name of 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one (CID 169128984) is 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one.
What is the SMILES notation for 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one?
The canonical SMILES for 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one is Cc1c(C2=CCOC2)cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one?
The InChIKey is JGLIZLDOLAZESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-13-17(15-8-9-27-12-15)10-22-25(20(13)26)11-19-23-18(24-28-19)7-4-14-2-5-16(21)6-3-14/h2-3,5-6,8,10H,4,7,9,11-12H2,1H3.
What are the key properties of 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one?
2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one has a molecular weight of 398.85 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(2,5-dihydrofuran-3-yl)-4-methylpyridazin-3-one is sourced from PubChem (CID 169128984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).