1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol

C13H24N2O2 — CID 104704321

IUPAC1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCCCCCc1nc(C(O)CCC)no1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-7-8-10-12-14-13(15-17-12)11(16)9-4-2/h11,16H,3-10H2,1-2H3
InChIKeyBMUFEHIWVMCLNB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.42
Rot. Bonds9

About 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol

1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol (PubChem CID 104704321) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
PubChem CID104704321
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCCCCCc1nc(C(O)CCC)no1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-7-8-10-12-14-13(15-17-12)11(16)9-4-2/h11,16H,3-10H2,1-2H3
InChIKeyBMUFEHIWVMCLNB-UHFFFAOYSA-N
XLogP3.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.42
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 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The IUPAC name of 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol (CID 104704321) is 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The canonical SMILES for 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol is CCCCCCCc1nc(C(O)CCC)no1.
What is the InChIKey of 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The InChIKey is BMUFEHIWVMCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-6-7-8-10-12-14-13(15-17-12)11(16)9-4-2/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol is sourced from PubChem (CID 104704321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).