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

C21H22N4O4 — CID 53134011

IUPAC8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2nnc(-c3cccnc3N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C21H22N4O4/c1-26-16-6-4-15(5-7-16)19-23-24-20(29-19)17-3-2-10-22-18(17)25-11-8-21(9-12-25)27-13-14-28-21/h2-7,10H,8-9,11-14H2,1H3
InChIKeyWAYFSCNTLIEJCE-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.15
Rot. Bonds4

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

8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53134011) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53134011
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2nnc(-c3cccnc3N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C21H22N4O4/c1-26-16-6-4-15(5-7-16)19-23-24-20(29-19)17-3-2-10-22-18(17)25-11-8-21(9-12-25)27-13-14-28-21/h2-7,10H,8-9,11-14H2,1H3
InChIKeyWAYFSCNTLIEJCE-UHFFFAOYSA-N
XLogP3.15
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 53134011) is 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(-c2nnc(-c3cccnc3N3CCC4(CC3)OCCO4)o2)cc1.
What is the InChIKey of 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WAYFSCNTLIEJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-26-16-6-4-15(5-7-16)19-23-24-20(29-19)17-3-2-10-22-18(17)25-11-8-21(9-12-25)27-13-14-28-21/h2-7,10H,8-9,11-14H2,1H3.
What are the key properties of 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 394.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53134011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).