[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

C18H13F2N3O5 — CID 7577921

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O5/c19-13-7-6-12(8-14(13)20)21-15(24)10-27-16(25)9-23-18(26)28-17(22-23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyIWYZKWYWHJIZMY-UHFFFAOYSA-N
MW389.31 g/mol
LogP1.96
Rot. Bonds6

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 7577921) has the molecular formula C18H13F2N3O5 and a molecular weight of 389.31 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID7577921
Molecular FormulaC18H13F2N3O5
Molecular Weight389.31 g/mol
Exact Mass389.08
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O5/c19-13-7-6-12(8-14(13)20)21-15(24)10-27-16(25)9-23-18(26)28-17(22-23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyIWYZKWYWHJIZMY-UHFFFAOYSA-N
XLogP1.96
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 7577921) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is IWYZKWYWHJIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O5/c19-13-7-6-12(8-14(13)20)21-15(24)10-27-16(25)9-23-18(26)28-17(22-23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 389.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 7577921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).