4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

C11H14N4O3S — CID 65207861

IUPAC4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCCCc1nnsc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C11H14N4O3S/c1-2-4-7-10(19-15-12-7)11-14-13-8(18-11)5-3-6-9(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyWYVFTTVLUYOALZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.95
Rot. Bonds7

About 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 65207861) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID65207861
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCCCc1nnsc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C11H14N4O3S/c1-2-4-7-10(19-15-12-7)11-14-13-8(18-11)5-3-6-9(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyWYVFTTVLUYOALZ-UHFFFAOYSA-N
XLogP1.95
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 65204845
5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 65207910
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114103590
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 113439442
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 65207861) is 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is CCCc1nnsc1-c1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is WYVFTTVLUYOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-2-4-7-10(19-15-12-7)11-14-13-8(18-11)5-3-6-9(16)17/h2-6H2,1H3,(H,16,17).
What are the key properties of 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 282.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 65207861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).