ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate

C12H12N2O3 — CID 53429626

IUPACethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-6-4-5-9(7-10)11-13-8(2)17-14-11/h4-7H,3H2,1-2H3
InChIKeyOKGFHGDXEFYTRK-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.22
Rot. Bonds3

About ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate

ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate (PubChem CID 53429626) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
PubChem CID53429626
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C12H12N2O3/c1-3-16-12(15)10-6-4-5-9(7-10)11-13-8(2)17-14-11/h4-7H,3H2,1-2H3
InChIKeyOKGFHGDXEFYTRK-UHFFFAOYSA-N
XLogP2.22
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
diethyl benzene-1,3-dicarboxylate
CID 12491
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 168974399
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
3-acetyloxypropyl 3-[5-[3-[3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 170523906
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate?
The IUPAC name of ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate (CID 53429626) is ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate.
What is the SMILES notation for ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate?
The canonical SMILES for ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate is CCOC(=O)c1cccc(-c2noc(C)n2)c1.
What is the InChIKey of ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate?
The InChIKey is OKGFHGDXEFYTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-16-12(15)10-6-4-5-9(7-10)11-13-8(2)17-14-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate?
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate has a molecular weight of 232.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate is sourced from PubChem (CID 53429626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).