2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

C6H8N2O4 — CID 54593302

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCc1noc(COCC(=O)O)n1
InChIInChI=1S/C6H8N2O4/c1-4-7-5(12-8-4)2-11-3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyHCLXDMHMZNTZMP-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (PubChem CID 54593302) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
PubChem CID54593302
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCc1noc(COCC(=O)O)n1
InChIInChI=1S/C6H8N2O4/c1-4-7-5(12-8-4)2-11-3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyHCLXDMHMZNTZMP-UHFFFAOYSA-N
XLogP-0.02
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (CID 54593302) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is Cc1noc(COCC(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The InChIKey is HCLXDMHMZNTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-4-7-5(12-8-4)2-11-3-6(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 54593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).