4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid

C15H13N3O3 — CID 62876066

IUPAC4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2cccc3cccnc23)o1
InChIInChI=1S/C15H13N3O3/c19-13(20)8-2-7-12-17-18-15(21-12)11-6-1-4-10-5-3-9-16-14(10)11/h1,3-6,9H,2,7-8H2,(H,19,20)
InChIKeyCNXSKVYGOSVTFA-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.69
Rot. Bonds5

About 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid

4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 62876066) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID62876066
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2cccc3cccnc23)o1
InChIInChI=1S/C15H13N3O3/c19-13(20)8-2-7-12-17-18-15(21-12)11-6-1-4-10-5-3-9-16-14(10)11/h1,3-6,9H,2,7-8H2,(H,19,20)
InChIKeyCNXSKVYGOSVTFA-UHFFFAOYSA-N
XLogP2.69
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55099628
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930127
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61406569
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-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930125
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249

Frequently Asked Questions

What is the IUPAC name of 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 62876066) is 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid is O=C(O)CCCc1nnc(-c2cccc3cccnc23)o1.
What is the InChIKey of 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is CNXSKVYGOSVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-13(20)8-2-7-12-17-18-15(21-12)11-6-1-4-10-5-3-9-16-14(10)11/h1,3-6,9H,2,7-8H2,(H,19,20).
What are the key properties of 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 62876066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).