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

C9H14N2O4 — CID 61279583

IUPAC5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCOCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C9H14N2O4/c1-14-6-8-11-10-7(15-8)4-2-3-5-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyGERJSDMWXYVSOD-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.01
Rot. Bonds7

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

5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 61279583) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID61279583
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCOCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C9H14N2O4/c1-14-6-8-11-10-7(15-8)4-2-3-5-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyGERJSDMWXYVSOD-UHFFFAOYSA-N
XLogP1.01
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.01
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-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 61279583) is 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is COCc1nnc(CCCCC(=O)O)o1.
What is the InChIKey of 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is GERJSDMWXYVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-14-6-8-11-10-7(15-8)4-2-3-5-9(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 214.22 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 61279583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).