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

C24H17N3O6 — CID 27690137

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17N3O6/c28-21(25-24-27-26-23(33-24)15-6-2-1-3-7-15)13-31-22(29)14-30-16-10-11-20-18(12-16)17-8-4-5-9-19(17)32-20/h1-12H,13-14H2,(H,25,27,28)
InChIKeyRBDMSJNYHCGNLV-UHFFFAOYSA-N
MW443.42 g/mol
LogP4.20
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate (PubChem CID 27690137) has the molecular formula C24H17N3O6 and a molecular weight of 443.42 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
PubChem CID27690137
Molecular FormulaC24H17N3O6
Molecular Weight443.42 g/mol
Exact Mass443.11
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17N3O6/c28-21(25-24-27-26-23(33-24)15-6-2-1-3-7-15)13-31-22(29)14-30-16-10-11-20-18(12-16)17-8-4-5-9-19(17)32-20/h1-12H,13-14H2,(H,25,27,28)
InChIKeyRBDMSJNYHCGNLV-UHFFFAOYSA-N
XLogP4.20
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate with MolForge

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Related Compounds

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 22830575
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997548
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186852
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140177
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3,3-dimethylbutanoate
CID 7950761
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839369
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
CID 46671265

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate (CID 27690137) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate is O=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate?
The InChIKey is RBDMSJNYHCGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O6/c28-21(25-24-27-26-23(33-24)15-6-2-1-3-7-15)13-31-22(29)14-30-16-10-11-20-18(12-16)17-8-4-5-9-19(17)32-20/h1-12H,13-14H2,(H,25,27,28).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate has a molecular weight of 443.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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] 2-dibenzofuran-2-yloxyacetate is sourced from PubChem (CID 27690137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).