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

C5H6N2O3 — CID 23009326

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid
SMILESCc1nnc(CC(=O)O)o1
InChIInChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyNMZOVEKBDTVUDI-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.01
Rot. Bonds2

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid (PubChem CID 23009326) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid
PubChem CID23009326
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid
SMILESCc1nnc(CC(=O)O)o1
InChIInChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyNMZOVEKBDTVUDI-UHFFFAOYSA-N
XLogP0.01
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid (CID 23009326) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid is Cc1nnc(CC(=O)O)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid?
The InChIKey is NMZOVEKBDTVUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)2-5(8)9/h2H2,1H3,(H,8,9).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid?
2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid has a molecular weight of 142.11 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid is sourced from PubChem (CID 23009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).