7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

C17H29N3O3 — CID 111457112

IUPAC7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCCCc1nc(CN2CCC3(CC2)C(O)CC3OCC)no1
InChIInChI=1S/C17H29N3O3/c1-3-5-6-16-18-15(19-23-16)12-20-9-7-17(8-10-20)13(21)11-14(17)22-4-2/h13-14,21H,3-12H2,1-2H3
InChIKeyONTXZZOLCYCUNZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.16
Rot. Bonds7

About 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457112) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457112
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCCCc1nc(CN2CCC3(CC2)C(O)CC3OCC)no1
InChIInChI=1S/C17H29N3O3/c1-3-5-6-16-18-15(19-23-16)12-20-9-7-17(8-10-20)13(21)11-14(17)22-4-2/h13-14,21H,3-12H2,1-2H3
InChIKeyONTXZZOLCYCUNZ-UHFFFAOYSA-N
XLogP2.16
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 111457112) is 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCCCc1nc(CN2CCC3(CC2)C(O)CC3OCC)no1.
What is the InChIKey of 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is ONTXZZOLCYCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-5-6-16-18-15(19-23-16)12-20-9-7-17(8-10-20)13(21)11-14(17)22-4-2/h13-14,21H,3-12H2,1-2H3.
What are the key properties of 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 323.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).