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

C15H11N3O5 — CID 7814111

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O5/c19-12(9-22-14(20)11-7-4-8-21-11)16-15-18-17-13(23-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18,19)
InChIKeyYISRQEPJBAHAEV-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.13
Rot. Bonds5

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate (PubChem CID 7814111) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
PubChem CID7814111
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O5/c19-12(9-22-14(20)11-7-4-8-21-11)16-15-18-17-13(23-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18,19)
InChIKeyYISRQEPJBAHAEV-UHFFFAOYSA-N
XLogP2.13
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.13
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] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate (CID 7814111) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate?
The InChIKey is YISRQEPJBAHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-12(9-22-14(20)11-7-4-8-21-11)16-15-18-17-13(23-15)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] furan-2-carboxylate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate has a molecular weight of 313.27 g/mol, XLogP of 2.13, 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] furan-2-carboxylate is sourced from PubChem (CID 7814111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).