N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine

C21H19N5O3 — CID 53054516

IUPACN-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
SMILESCOc1ccc(-c2noc(-c3ccc(Nc4cc(C)ccc4OC)nn3)n2)cc1
InChIInChI=1S/C21H19N5O3/c1-13-4-10-18(28-3)17(12-13)22-19-11-9-16(24-25-19)21-23-20(26-29-21)14-5-7-15(27-2)8-6-14/h4-12H,1-3H3,(H,22,25)
InChIKeyQXNLVIVOSRJXMJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.26
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine

N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine (PubChem CID 53054516) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
PubChem CID53054516
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
SMILESCOc1ccc(-c2noc(-c3ccc(Nc4cc(C)ccc4OC)nn3)n2)cc1
InChIInChI=1S/C21H19N5O3/c1-13-4-10-18(28-3)17(12-13)22-19-11-9-16(24-25-19)21-23-20(26-29-21)14-5-7-15(27-2)8-6-14/h4-12H,1-3H3,(H,22,25)
InChIKeyQXNLVIVOSRJXMJ-UHFFFAOYSA-N
XLogP4.26
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
CID 53021998
N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054496
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
CID 53054493
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
N-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53128222
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839280

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine (CID 53054516) is N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine is COc1ccc(-c2noc(-c3ccc(Nc4cc(C)ccc4OC)nn3)n2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The InChIKey is QXNLVIVOSRJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-4-10-18(28-3)17(12-13)22-19-11-9-16(24-25-19)21-23-20(26-29-21)14-5-7-15(27-2)8-6-14/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine has a molecular weight of 389.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine is sourced from PubChem (CID 53054516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).