8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C20H21N5O4 — CID 53054501

IUPAC8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2noc(-c3ccc(N4CCC5(CC4)OCCO5)nn3)n2)cc1
InChIInChI=1S/C20H21N5O4/c1-26-15-4-2-14(3-5-15)18-21-19(29-24-18)16-6-7-17(23-22-16)25-10-8-20(9-11-25)27-12-13-28-20/h2-7H,8-13H2,1H3
InChIKeySPNNRVRGFPJNSH-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.55
Rot. Bonds4

About 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53054501) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53054501
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2noc(-c3ccc(N4CCC5(CC4)OCCO5)nn3)n2)cc1
InChIInChI=1S/C20H21N5O4/c1-26-15-4-2-14(3-5-15)18-21-19(29-24-18)16-6-7-17(23-22-16)25-10-8-20(9-11-25)27-12-13-28-20/h2-7H,8-13H2,1H3
InChIKeySPNNRVRGFPJNSH-UHFFFAOYSA-N
XLogP2.55
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
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-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 53054466
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
ethyl (3R)-1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 95064447
5-[6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 93065259
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
3-(4-methylphenyl)-5-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 53021987
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53134011

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 53054501) is 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(-c2noc(-c3ccc(N4CCC5(CC4)OCCO5)nn3)n2)cc1.
What is the InChIKey of 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SPNNRVRGFPJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-26-15-4-2-14(3-5-15)18-21-19(29-24-18)16-6-7-17(23-22-16)25-10-8-20(9-11-25)27-12-13-28-20/h2-7H,8-13H2,1H3.
What are the key properties of 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 395.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53054501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).