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

C11H10N2O3 — CID 42553350

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
SMILESCCc1noc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N2O3/c1-2-9-12-10(16-13-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyAXOPVHRULGUSFG-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.00
Rot. Bonds3

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid (PubChem CID 42553350) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
PubChem CID42553350
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
SMILESCCc1noc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N2O3/c1-2-9-12-10(16-13-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyAXOPVHRULGUSFG-UHFFFAOYSA-N
XLogP2.00
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic 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

3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 103146492
4-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925499
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116705027
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
4-[[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzoic acid
CID 135357506
methyl 4-(3-butyl-1,2,4-oxadiazol-5-yl)benzoate
CID 59913410
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 104798239
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]guanidine
CID 110935522

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid (CID 42553350) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid is CCc1noc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid?
The InChIKey is AXOPVHRULGUSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-9-12-10(16-13-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid has a molecular weight of 218.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid is sourced from PubChem (CID 42553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).