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

C10H12N2O3 — CID 79193177

IUPAC4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccco2)no1
InChIInChI=1S/C10H12N2O3/c13-6-2-1-5-9-11-10(12-15-9)8-4-3-7-14-8/h3-4,7,13H,1-2,5-6H2
InChIKeyMJJIMMBKBOSETM-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.64
Rot. Bonds5

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

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79193177) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79193177
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccco2)no1
InChIInChI=1S/C10H12N2O3/c13-6-2-1-5-9-11-10(12-15-9)8-4-3-7-14-8/h3-4,7,13H,1-2,5-6H2
InChIKeyMJJIMMBKBOSETM-UHFFFAOYSA-N
XLogP1.64
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79193177) is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is OCCCCc1nc(-c2ccco2)no1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is MJJIMMBKBOSETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-6-2-1-5-9-11-10(12-15-9)8-4-3-7-14-8/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 208.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79193177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).