2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one

C19H13ClN4O2 — CID 30850154

IUPAC2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C19H13ClN4O2/c20-15-8-4-7-14(11-15)19-21-17(26-23-19)12-24-18(25)10-9-16(22-24)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyORSZPRMVFFGTEY-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.66
Rot. Bonds4

About 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one (PubChem CID 30850154) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
PubChem CID30850154
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C19H13ClN4O2/c20-15-8-4-7-14(11-15)19-21-17(26-23-19)12-24-18(25)10-9-16(22-24)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyORSZPRMVFFGTEY-UHFFFAOYSA-N
XLogP3.66
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2E)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-3-phenylacrylamide
CID 12004934
(2E)-3-(2-chlorophenyl)-N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acrylamide
CID 12004936
1-(3-Chlorobenzyl)-4-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16191222
1-Acetyl-4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 9033847
2-methyl-6-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 72119467
(3-Chlorophenyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 17527011
6-phenyl-2-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)pyridazin-3(2H)-one
CID 27374271
6-(4-Fluorophenyl)-2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,3-dihydropyridazin-3-one
CID 27375104
2-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-6-(2-fluorophenyl)pyridazin-3(2H)-one
CID 30849968
2-((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-6-(p-tolyl)pyridazin-3(2H)-one
CID 30850156
6-(2-fluorophenyl)-2-((3-(o-tolyl)-1,2,4-oxadiazol-5-yl)methyl)pyridazin-3(2H)-one
CID 30850176
1-{[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-YL]methyl}piperidine
CID 42157560

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one (CID 30850154) is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one?
The InChIKey is ORSZPRMVFFGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-15-8-4-7-14(11-15)19-21-17(26-23-19)12-24-18(25)10-9-16(22-24)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one?
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one has a molecular weight of 364.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 30850154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).