ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate

C21H23N5O4 — CID 53054466

IUPACethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1
InChIInChI=1S/C21H23N5O4/c1-3-29-21(27)15-10-12-26(13-11-15)18-9-8-17(23-24-18)20-22-19(25-30-20)14-4-6-16(28-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3
InChIKeyLRZUQLSLTUSRGS-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.98
Rot. Bonds6

About ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate

ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate (PubChem CID 53054466) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
PubChem CID53054466
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Nameethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1
InChIInChI=1S/C21H23N5O4/c1-3-29-21(27)15-10-12-26(13-11-15)18-9-8-17(23-24-18)20-22-19(25-30-20)14-4-6-16(28-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3
InChIKeyLRZUQLSLTUSRGS-UHFFFAOYSA-N
XLogP2.98
TPSA103.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl (3R)-1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 95064447
ethyl 1-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 53054444
5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53054501
5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53054502
3-(4-methylphenyl)-5-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 53021987
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
CID 174358770
ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 30361202
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate (CID 53054466) is ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1.
What is the InChIKey of ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate?
The InChIKey is LRZUQLSLTUSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-3-29-21(27)15-10-12-26(13-11-15)18-9-8-17(23-24-18)20-22-19(25-30-20)14-4-6-16(28-2)7-5-14/h4-9,15H,3,10-13H2,1-2H3.
What are the key properties of ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate?
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate has a molecular weight of 409.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 53054466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).