5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid

C12H12FN3O3 — CID 79719710

IUPAC5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c13-8-5-6-9(14-7-8)12-15-10(19-16-12)3-1-2-4-11(17)18/h5-7H,1-4H2,(H,17,18)
InChIKeyOBJLIEZUTZRHTF-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.07
Rot. Bonds6

About 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid

5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid (PubChem CID 79719710) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
PubChem CID79719710
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c13-8-5-6-9(14-7-8)12-15-10(19-16-12)3-1-2-4-11(17)18/h5-7H,1-4H2,(H,17,18)
InChIKeyOBJLIEZUTZRHTF-UHFFFAOYSA-N
XLogP2.07
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.07
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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Related Compounds

5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79720053
6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 79719548
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79704099
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 79717791
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 107915268
N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79720127

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The IUPAC name of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid (CID 79719710) is 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The canonical SMILES for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid is O=C(O)CCCCc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The InChIKey is OBJLIEZUTZRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-8-5-6-9(14-7-8)12-15-10(19-16-12)3-1-2-4-11(17)18/h5-7H,1-4H2,(H,17,18).
What are the key properties of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid has a molecular weight of 265.24 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid is sourced from PubChem (CID 79719710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).