[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C18H15FN2O5 — CID 7400282

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1c(=O)oc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O5/c19-13-7-5-12(6-8-13)9-20-16(22)11-25-17(23)10-21-14-3-1-2-4-15(14)26-18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyOMSSOLFFPUYDAX-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.59
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 7400282) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID7400282
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(COC(=O)Cn1c(=O)oc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O5/c19-13-7-5-12(6-8-13)9-20-16(22)11-25-17(23)10-21-14-3-1-2-4-15(14)26-18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyOMSSOLFFPUYDAX-UHFFFAOYSA-N
XLogP1.59
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 7400282) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(COC(=O)Cn1c(=O)oc2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is OMSSOLFFPUYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c19-13-7-5-12(6-8-13)9-20-16(22)11-25-17(23)10-21-14-3-1-2-4-15(14)26-18(21)24/h1-8H,9-11H2,(H,20,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 358.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 7400282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).