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

C18H14FN3O5 — CID 4963490

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O5/c19-13-6-8-14(9-7-13)20-15(23)11-26-16(24)10-22-18(25)27-17(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)
InChIKeyGDDQSHXCXMDOQR-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.82
Rot. Bonds6

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

[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 4963490) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID4963490
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O5/c19-13-6-8-14(9-7-13)20-15(23)11-26-16(24)10-22-18(25)27-17(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)
InChIKeyGDDQSHXCXMDOQR-UHFFFAOYSA-N
XLogP1.82
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 4963490) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-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)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is GDDQSHXCXMDOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c19-13-6-8-14(9-7-13)20-15(23)11-26-16(24)10-22-18(25)27-17(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 371.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 4963490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).