5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid

C10H12N2O3 — CID 165484639

IUPAC5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C[C@@H]2C[C@H]2C2CC2)n1
InChIInChI=1S/C10H12N2O3/c13-10(14)9-11-8(15-12-9)4-6-3-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14)/t6-,7-/m0/s1
InChIKeyZAUIZPHGPFMHQW-BQBZGAKWSA-N
MW208.22 g/mol
LogP1.36
Rot. Bonds4

About 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 165484639) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID165484639
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C[C@@H]2C[C@H]2C2CC2)n1
InChIInChI=1S/C10H12N2O3/c13-10(14)9-11-8(15-12-9)4-6-3-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14)/t6-,7-/m0/s1
InChIKeyZAUIZPHGPFMHQW-BQBZGAKWSA-N
XLogP1.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-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

Related Compounds

5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
5-(thian-2-ylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115078441
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631985
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
CID 112572311
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112603813
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-[2-(cyanomethyl)-2-methylbutyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 106526618

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 165484639) is 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(C[C@@H]2C[C@H]2C2CC2)n1.
What is the InChIKey of 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ZAUIZPHGPFMHQW-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(14)9-11-8(15-12-9)4-6-3-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14)/t6-,7-/m0/s1.
What are the key properties of 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 165484639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).