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

C17H15N3O4S — CID 55547339

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
SMILESCc1noc(C(C)OC(=O)c2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C17H15N3O4S/c1-10(16-18-11(2)20-24-16)23-17(22)12-6-3-4-7-13(12)19-15(21)14-8-5-9-25-14/h3-10H,1-2H3,(H,19,21)
InChIKeyXWMRJBCVRJLMHY-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.61
Rot. Bonds5

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate (PubChem CID 55547339) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
PubChem CID55547339
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
SMILESCc1noc(C(C)OC(=O)c2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C17H15N3O4S/c1-10(16-18-11(2)20-24-16)23-17(22)12-6-3-4-7-13(12)19-15(21)14-8-5-9-25-14/h3-10H,1-2H3,(H,19,21)
InChIKeyXWMRJBCVRJLMHY-UHFFFAOYSA-N
XLogP3.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
CID 86921526
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538727
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(methylamino)benzoate
CID 7602248
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55554169
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538058
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55538730
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577
N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 138004639
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-cyclopropylthiophene-2-carboxylate
CID 95197535
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate (CID 55547339) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate is Cc1noc(C(C)OC(=O)c2ccccc2NC(=O)c2cccs2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is XWMRJBCVRJLMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-10(16-18-11(2)20-24-16)23-17(22)12-6-3-4-7-13(12)19-15(21)14-8-5-9-25-14/h3-10H,1-2H3,(H,19,21).
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate?
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 357.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 55547339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).