[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C18H13ClFN3O4 — CID 7718248

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H13ClFN3O4/c19-13-7-4-8-14(20)12(13)9-16(25)26-10-15(24)21-18-23-22-17(27-18)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,23,24)
InChIKeyQXCPDCKLMLRILU-UHFFFAOYSA-N
MW389.77 g/mol
LogP3.25
Rot. Bonds6

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718248) has the molecular formula C18H13ClFN3O4 and a molecular weight of 389.77 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718248
Molecular FormulaC18H13ClFN3O4
Molecular Weight389.77 g/mol
Exact Mass389.06
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H13ClFN3O4/c19-13-7-4-8-14(20)12(13)9-16(25)26-10-15(24)21-18-23-22-17(27-18)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,23,24)
InChIKeyQXCPDCKLMLRILU-UHFFFAOYSA-N
XLogP3.25
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718248) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is QXCPDCKLMLRILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O4/c19-13-7-4-8-14(20)12(13)9-16(25)26-10-15(24)21-18-23-22-17(27-18)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,23,24).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 389.77 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).