6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine

C22H20ClN5O3 — CID 53022064

IUPAC6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
SMILESCOc1ccc(CCNc2ccc(-c3nc(-c4cccc(Cl)c4)no3)nn2)cc1OC
InChIInChI=1S/C22H20ClN5O3/c1-29-18-8-6-14(12-19(18)30-2)10-11-24-20-9-7-17(26-27-20)22-25-21(28-31-22)15-4-3-5-16(23)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,24,27)
InChIKeyMBYYTFWSGFWPQV-UHFFFAOYSA-N
MW437.89 g/mol
LogP4.52
Rot. Bonds8

About 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine (PubChem CID 53022064) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
PubChem CID53022064
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
SMILESCOc1ccc(CCNc2ccc(-c3nc(-c4cccc(Cl)c4)no3)nn2)cc1OC
InChIInChI=1S/C22H20ClN5O3/c1-29-18-8-6-14(12-19(18)30-2)10-11-24-20-9-7-17(26-27-20)22-25-21(28-31-22)15-4-3-5-16(23)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,24,27)
InChIKeyMBYYTFWSGFWPQV-UHFFFAOYSA-N
XLogP4.52
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004483
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 53021985
2-N-(3-chlorophenyl)-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922555
6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyridazin-3-amine
CID 53013577
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111588342
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50837756
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine (CID 53022064) is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine is COc1ccc(CCNc2ccc(-c3nc(-c4cccc(Cl)c4)no3)nn2)cc1OC.
What is the InChIKey of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The InChIKey is MBYYTFWSGFWPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-29-18-8-6-14(12-19(18)30-2)10-11-24-20-9-7-17(26-27-20)22-25-21(28-31-22)15-4-3-5-16(23)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine has a molecular weight of 437.89 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 53022064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).