5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid

C12H13N3O3 — CID 54929886

IUPAC5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H13N3O3/c16-11(17)7-2-1-6-10-14-15-12(18-10)9-5-3-4-8-13-9/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyDUPKBGJFDVFTFA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.93
Rot. Bonds6

About 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid

5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid (PubChem CID 54929886) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
PubChem CID54929886
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H13N3O3/c16-11(17)7-2-1-6-10-14-15-12(18-10)9-5-3-4-8-13-9/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyDUPKBGJFDVFTFA-UHFFFAOYSA-N
XLogP1.93
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.93
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

methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
CID 59027826
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 44577785
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
4-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 62876066
N-(2-fluorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330308
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432

Frequently Asked Questions

What is the IUPAC name of 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The IUPAC name of 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid (CID 54929886) is 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The canonical SMILES for 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid is O=C(O)CCCCc1nnc(-c2ccccn2)o1.
What is the InChIKey of 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The InChIKey is DUPKBGJFDVFTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11(17)7-2-1-6-10-14-15-12(18-10)9-5-3-4-8-13-9/h3-5,8H,1-2,6-7H2,(H,16,17).
What are the key properties of 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid?
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid is sourced from PubChem (CID 54929886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).