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

C12H18N4O2S — CID 103096520

IUPAC1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C12H18N4O2S/c1-5-6-7(17)10-13-11(18-15-10)8-9(12(2,3)4)14-16-19-8/h7,17H,5-6H2,1-4H3
InChIKeyWGTYXRHIWRIGQP-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.72
Rot. Bonds4

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

1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096520) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096520
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C12H18N4O2S/c1-5-6-7(17)10-13-11(18-15-10)8-9(12(2,3)4)14-16-19-8/h7,17H,5-6H2,1-4H3
InChIKeyWGTYXRHIWRIGQP-UHFFFAOYSA-N
XLogP2.72
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096520) is 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2snnc2C(C)(C)C)n1.
What is the InChIKey of 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is WGTYXRHIWRIGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-5-6-7(17)10-13-11(18-15-10)8-9(12(2,3)4)14-16-19-8/h7,17H,5-6H2,1-4H3.
What are the key properties of 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 282.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).