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

C18H31N3O3 — CID 111457291

IUPAC7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCCCc1noc(C(C)N2CCC3(CC2)C(O)CC3OCC)n1
InChIInChI=1S/C18H31N3O3/c1-4-6-7-16-19-17(24-20-16)13(3)21-10-8-18(9-11-21)14(22)12-15(18)23-5-2/h13-15,22H,4-12H2,1-3H3
InChIKeyZZCBRDIVINNXJP-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.73
Rot. Bonds7

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

7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457291) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457291
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCCCc1noc(C(C)N2CCC3(CC2)C(O)CC3OCC)n1
InChIInChI=1S/C18H31N3O3/c1-4-6-7-16-19-17(24-20-16)13(3)21-10-8-18(9-11-21)14(22)12-15(18)23-5-2/h13-15,22H,4-12H2,1-3H3
InChIKeyZZCBRDIVINNXJP-UHFFFAOYSA-N
XLogP2.73
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 111457291) is 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCCCc1noc(C(C)N2CCC3(CC2)C(O)CC3OCC)n1.
What is the InChIKey of 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is ZZCBRDIVINNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-4-6-7-16-19-17(24-20-16)13(3)21-10-8-18(9-11-21)14(22)12-15(18)23-5-2/h13-15,22H,4-12H2,1-3H3.
What are the key properties of 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 337.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).