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

C8H10N2O3 — CID 60791232

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-2-6-9-7(13-10-6)4-3-5(4)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKUJFGMJKWIJDGZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.82
Rot. Bonds3

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

2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 60791232) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID60791232
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-2-6-9-7(13-10-6)4-3-5(4)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKUJFGMJKWIJDGZ-UHFFFAOYSA-N
XLogP0.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-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

Related Compounds

6-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150102
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 115345518
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116808678
4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114392657
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
CID 114513025
4-ethyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114512952
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 60791718
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 54918234
4-ethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512904
2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392630

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 60791232) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is CCc1noc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KUJFGMJKWIJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-6-9-7(13-10-6)4-3-5(4)8(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).