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

C16H19N3O4 — CID 20881449

IUPAC8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2noc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C16H19N3O4/c1-20-13-4-2-12(3-5-13)14-17-15(23-18-14)19-8-6-16(7-9-19)21-10-11-22-16/h2-5H,6-11H2,1H3
InChIKeyJPSWFYWUSZLWBF-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.09
Rot. Bonds3

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

8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20881449) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20881449
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2noc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C16H19N3O4/c1-20-13-4-2-12(3-5-13)14-17-15(23-18-14)19-8-6-16(7-9-19)21-10-11-22-16/h2-5H,6-11H2,1H3
InChIKeyJPSWFYWUSZLWBF-UHFFFAOYSA-N
XLogP2.09
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
CID 167823383
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-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 20881463
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53134011
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 20881449) is 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(-c2noc(N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JPSWFYWUSZLWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-20-13-4-2-12(3-5-13)14-17-15(23-18-14)19-8-6-16(7-9-19)21-10-11-22-16/h2-5H,6-11H2,1H3.
What are the key properties of 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 317.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20881449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).