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

C9H12N2O4 — CID 115027752

IUPAC2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCC1(c2noc(CC(=O)O)n2)CCOC1
InChIInChI=1S/C9H12N2O4/c1-9(2-3-14-5-9)8-10-6(15-11-8)4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyNOOZBMRBUZOHQY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.37
Rot. Bonds3

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

2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 115027752) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID115027752
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCC1(c2noc(CC(=O)O)n2)CCOC1
InChIInChI=1S/C9H12N2O4/c1-9(2-3-14-5-9)8-10-6(15-11-8)4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyNOOZBMRBUZOHQY-UHFFFAOYSA-N
XLogP0.37
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid
CID 115027223
2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115027385
2-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116744107
2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
CID 59869122
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674
methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744165
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
2-[4-methyl-2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115043031
3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115033888
1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 116780470
1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 130642311

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 115027752) is 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid is CC1(c2noc(CC(=O)O)n2)CCOC1.
What is the InChIKey of 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is NOOZBMRBUZOHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-9(2-3-14-5-9)8-10-6(15-11-8)4-7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 115027752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).