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

C12H18N2O4 — CID 65332109

IUPAC5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(C2CCCOC2)no1
InChIInChI=1S/C12H18N2O4/c15-11(16)6-2-1-5-10-13-12(14-18-10)9-4-3-7-17-8-9/h9H,1-8H2,(H,15,16)
InChIKeyZPQAADJZPONYEC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.76
Rot. Bonds6

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

5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid (PubChem CID 65332109) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
PubChem CID65332109
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(C2CCCOC2)no1
InChIInChI=1S/C12H18N2O4/c15-11(16)6-2-1-5-10-13-12(14-18-10)9-4-3-7-17-8-9/h9H,1-8H2,(H,15,16)
InChIKeyZPQAADJZPONYEC-UHFFFAOYSA-N
XLogP1.76
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The IUPAC name of 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid (CID 65332109) is 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The canonical SMILES for 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid is O=C(O)CCCCc1nc(C2CCCOC2)no1.
What is the InChIKey of 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The InChIKey is ZPQAADJZPONYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-11(16)6-2-1-5-10-13-12(14-18-10)9-4-3-7-17-8-9/h9H,1-8H2,(H,15,16).
What are the key properties of 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid is sourced from PubChem (CID 65332109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).