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

C7H8N2O3 — CID 82413429

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C7H8N2O3/c1-4-8-5(12-9-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyOTYLQXHFMAINHA-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.49
Rot. Bonds2

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 82413429) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID82413429
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C7H8N2O3/c1-4-8-5(12-9-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyOTYLQXHFMAINHA-UHFFFAOYSA-N
XLogP0.49
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 82413429) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1noc(C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OTYLQXHFMAINHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-5(12-9-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82413429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).