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

C19H13N3O4S2 — CID 55554169

IUPAC(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1noc(-c2ccsc2)n1)c1cccs1
InChIInChI=1S/C19H13N3O4S2/c23-17(15-6-3-8-28-15)20-14-5-2-1-4-13(14)19(24)25-10-16-21-18(26-22-16)12-7-9-27-11-12/h1-9,11H,10H2,(H,20,23)
InChIKeyAWBRXTXVHOXTEH-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.47
Rot. Bonds6

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

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate (PubChem CID 55554169) has the molecular formula C19H13N3O4S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
PubChem CID55554169
Molecular FormulaC19H13N3O4S2
Molecular Weight411.46 g/mol
Exact Mass411.03
IUPAC Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1noc(-c2ccsc2)n1)c1cccs1
InChIInChI=1S/C19H13N3O4S2/c23-17(15-6-3-8-28-15)20-14-5-2-1-4-13(14)19(24)25-10-16-21-18(26-22-16)12-7-9-27-11-12/h1-9,11H,10H2,(H,20,23)
InChIKeyAWBRXTXVHOXTEH-UHFFFAOYSA-N
XLogP4.47
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55538730
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 24674763
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate
CID 55496260
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(methylamino)benzoate
CID 55449116
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate
CID 55471409
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 55547339
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 30706243
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
[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-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate (CID 55554169) is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate is O=C(Nc1ccccc1C(=O)OCc1noc(-c2ccsc2)n1)c1cccs1.
What is the InChIKey of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is AWBRXTXVHOXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S2/c23-17(15-6-3-8-28-15)20-14-5-2-1-4-13(14)19(24)25-10-16-21-18(26-22-16)12-7-9-27-11-12/h1-9,11H,10H2,(H,20,23).
What are the key properties of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 411.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 55554169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).