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

C10H16N2O4 — CID 60912066

IUPAC5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCCOCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C10H16N2O4/c1-2-15-7-9-12-11-8(16-9)5-3-4-6-10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyWSZORZMDIQGZDV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.40
Rot. Bonds8

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

5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 60912066) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID60912066
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCCOCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C10H16N2O4/c1-2-15-7-9-12-11-8(16-9)5-3-4-6-10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyWSZORZMDIQGZDV-UHFFFAOYSA-N
XLogP1.40
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.40
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-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 60912066) is 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is CCOCc1nnc(CCCCC(=O)O)o1.
What is the InChIKey of 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is WSZORZMDIQGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-15-7-9-12-11-8(16-9)5-3-4-6-10(13)14/h2-7H2,1H3,(H,13,14).
What are the key properties of 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 228.25 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 60912066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).