2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one

C17H16Cl2N4O3 — CID 11406775

IUPAC2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2nnc(-c3ccccc3Cl)o2)c(Cl)c1=O
InChIInChI=1S/C17H16Cl2N4O3/c1-17(2,3)23-16(24)14(19)12(8-20-23)25-9-13-21-22-15(26-13)10-6-4-5-7-11(10)18/h4-8H,9H2,1-3H3
InChIKeyDMENOPFLFUTSKQ-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.93
Rot. Bonds4

About 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one

2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one (PubChem CID 11406775) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
PubChem CID11406775
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC Name2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2nnc(-c3ccccc3Cl)o2)c(Cl)c1=O
InChIInChI=1S/C17H16Cl2N4O3/c1-17(2,3)23-16(24)14(19)12(8-20-23)25-9-13-21-22-15(26-13)10-6-4-5-7-11(10)18/h4-8H,9H2,1-3H3
InChIKeyDMENOPFLFUTSKQ-UHFFFAOYSA-N
XLogP3.93
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one with MolForge

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Related Compounds

2-tert-butyl-4-chloro-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
CID 11257118
2-tert-butyl-4-chloro-5-[[5-(2,4,5-trifluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
CID 11201638
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-dimethylbutanoate
CID 78760319
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
3-chloro-4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 78814942
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992
2-tert-butyl-4-chloro-5-[[4-(2-hydroxyethoxymethyl)phenyl]methoxy]pyridazin-3-one
CID 59678647
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
2-tert-butyl-5-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]phenyl]methoxy]-4-chloropyridazin-3-one
CID 59678629
2-tert-butyl-4-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridazin-3-one
CID 10938510
5-[(4-butoxy-2-chlorophenyl)methoxy]-2-tert-butyl-4-chloropyridazin-3-one
CID 118229064
2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660822

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one (CID 11406775) is 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one is CC(C)(C)n1ncc(OCc2nnc(-c3ccccc3Cl)o2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The InChIKey is DMENOPFLFUTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c1-17(2,3)23-16(24)14(19)12(8-20-23)25-9-13-21-22-15(26-13)10-6-4-5-7-11(10)18/h4-8H,9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one has a molecular weight of 395.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one is sourced from PubChem (CID 11406775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).