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

C10H15N3O3 — CID 115345518

IUPAC2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCN(C)CCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-13(2)4-3-8-11-9(16-12-8)6-5-7(6)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyWUGUIPSLQILJDV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.36
Rot. Bonds5

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

2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 115345518) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID115345518
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCN(C)CCc1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-13(2)4-3-8-11-9(16-12-8)6-5-7(6)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyWUGUIPSLQILJDV-UHFFFAOYSA-N
XLogP0.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-(dimethylamino)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

2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
CID 114513025
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
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 54918234
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 60791718
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
4-ethyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114512952
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115345512
6-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150102
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid (CID 115345518) is 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid is CN(C)CCc1noc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is WUGUIPSLQILJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(2)4-3-8-11-9(16-12-8)6-5-7(6)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid?
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115345518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).