[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

C15H11N3O4S — CID 8631325

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O4S/c19-12(9-21-14(20)11-7-4-8-23-11)16-15-18-17-13(22-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18,19)
InChIKeyDWZWEGQWFJWROU-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.59
Rot. Bonds5

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (PubChem CID 8631325) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
PubChem CID8631325
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O4S/c19-12(9-21-14(20)11-7-4-8-23-11)16-15-18-17-13(22-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18,19)
InChIKeyDWZWEGQWFJWROU-UHFFFAOYSA-N
XLogP2.59
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (CID 8631325) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The InChIKey is DWZWEGQWFJWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-12(9-21-14(20)11-7-4-8-23-11)16-15-18-17-13(22-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18,19).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate has a molecular weight of 329.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 8631325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).