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

C10H14N2O5 — CID 62805639

IUPAC4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(C2COCCO2)o1
InChIInChI=1S/C10H14N2O5/c13-9(14)3-1-2-8-11-12-10(17-8)7-6-15-4-5-16-7/h7H,1-6H2,(H,13,14)
InChIKeyYLWDBXQSXPUBLA-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.56
Rot. Bonds5

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

4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 62805639) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID62805639
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nnc(C2COCCO2)o1
InChIInChI=1S/C10H14N2O5/c13-9(14)3-1-2-8-11-12-10(17-8)7-6-15-4-5-16-7/h7H,1-6H2,(H,13,14)
InChIKeyYLWDBXQSXPUBLA-UHFFFAOYSA-N
XLogP0.56
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 62805639) is 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is O=C(O)CCCc1nnc(C2COCCO2)o1.
What is the InChIKey of 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is YLWDBXQSXPUBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-9(14)3-1-2-8-11-12-10(17-8)7-6-15-4-5-16-7/h7H,1-6H2,(H,13,14).
What are the key properties of 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 62805639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).