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

C15H12Cl2N4O2 — CID 169128998

IUPAC4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc(CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12Cl2N4O2/c16-11-4-1-10(2-5-11)3-6-13-19-14(23-20-13)9-21-15(22)12(17)7-8-18-21/h1-2,4-5,7-8H,3,6,9H2
InChIKeyUIAKRNRJBHUGGZ-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.77
Rot. Bonds5

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

4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 169128998) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID169128998
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)ccnn1Cc1nc(CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12Cl2N4O2/c16-11-4-1-10(2-5-11)3-6-13-19-14(23-20-13)9-21-15(22)12(17)7-8-18-21/h1-2,4-5,7-8H,3,6,9H2
InChIKeyUIAKRNRJBHUGGZ-UHFFFAOYSA-N
XLogP2.77
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 169128998) is 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is O=c1c(Cl)ccnn1Cc1nc(CCc2ccc(Cl)cc2)no1.
What is the InChIKey of 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is UIAKRNRJBHUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-11-4-1-10(2-5-11)3-6-13-19-14(23-20-13)9-21-15(22)12(17)7-8-18-21/h1-2,4-5,7-8H,3,6,9H2.
What are the key properties of 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 351.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 169128998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).