pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate

C18H17FN2O4 — CID 59925901

IUPACpyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate
SMILESCCC1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN2O4/c1-2-14-10-21(18(23)25-14)13-5-6-15(16(19)8-13)17(22)24-11-12-4-3-7-20-9-12/h3-9,14H,2,10-11H2,1H3
InChIKeyXYZCIEVTUNKCDO-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.31
Rot. Bonds5

About pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate

pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate (PubChem CID 59925901) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate
PubChem CID59925901
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Namepyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate
SMILESCCC1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN2O4/c1-2-14-10-21(18(23)25-14)13-5-6-15(16(19)8-13)17(22)24-11-12-4-3-7-20-9-12/h3-9,14H,2,10-11H2,1H3
InChIKeyXYZCIEVTUNKCDO-UHFFFAOYSA-N
XLogP3.31
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate?
The IUPAC name of pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate (CID 59925901) is pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate.
What is the SMILES notation for pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate?
The canonical SMILES for pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate is CCC1CN(c2ccc(C(=O)OCc3cccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate?
The InChIKey is XYZCIEVTUNKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-2-14-10-21(18(23)25-14)13-5-6-15(16(19)8-13)17(22)24-11-12-4-3-7-20-9-12/h3-9,14H,2,10-11H2,1H3.
What are the key properties of pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate?
pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate has a molecular weight of 344.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzoate is sourced from PubChem (CID 59925901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).