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

C18H23N3O4 — CID 47025053

IUPAC8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2nnc(C(C)N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C18H23N3O4/c1-13(21-9-7-18(8-10-21)23-11-12-24-18)16-19-20-17(25-16)14-3-5-15(22-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyLMWCGTXXEHRXIB-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.65
Rot. Bonds4

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

8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 47025053) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID47025053
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(-c2nnc(C(C)N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C18H23N3O4/c1-13(21-9-7-18(8-10-21)23-11-12-24-18)16-19-20-17(25-16)14-3-5-15(22-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyLMWCGTXXEHRXIB-UHFFFAOYSA-N
XLogP2.65
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 47025053) is 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(-c2nnc(C(C)N3CCC4(CC3)OCCO4)o2)cc1.
What is the InChIKey of 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LMWCGTXXEHRXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(21-9-7-18(8-10-21)23-11-12-24-18)16-19-20-17(25-16)14-3-5-15(22-2)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 345.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 47025053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).