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

C7H8N2O3 — CID 60790596

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11)
InChIKeyBLKPQCXYKGDXBI-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.57
Rot. Bonds2

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 60790596) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID60790596
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11)
InChIKeyBLKPQCXYKGDXBI-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(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 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 60790596) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1noc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BLKPQCXYKGDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60790596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).