4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol

C16H20N2O2 — CID 79191189

IUPAC4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H20N2O2/c19-11-4-3-10-15-17-16(18-20-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14,19H,3-5,7,9-11H2
InChIKeyQGBYONQSZXGPHL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds5

About 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol

4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79191189) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79191189
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H20N2O2/c19-11-4-3-10-15-17-16(18-20-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14,19H,3-5,7,9-11H2
InChIKeyQGBYONQSZXGPHL-UHFFFAOYSA-N
XLogP2.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79191189) is 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is OCCCCc1nc(C2CCCc3ccccc32)no1.
What is the InChIKey of 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is QGBYONQSZXGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-4-3-10-15-17-16(18-20-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14,19H,3-5,7,9-11H2.
What are the key properties of 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79191189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).