3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

C12H15FN2O2 — CID 82084036

IUPAC3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCCN1CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H15FN2O2/c13-10-4-2-9(3-5-10)11-8-15(7-1-6-14)12(16)17-11/h2-5,11H,1,6-8,14H2
InChIKeyCJXHAMCIDJZIDI-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.67
Rot. Bonds4

About 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 82084036) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID82084036
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCCN1CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H15FN2O2/c13-10-4-2-9(3-5-10)11-8-15(7-1-6-14)12(16)17-11/h2-5,11H,1,6-8,14H2
InChIKeyCJXHAMCIDJZIDI-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 82084036) is 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is NCCCN1CC(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is CJXHAMCIDJZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-4-2-9(3-5-10)11-8-15(7-1-6-14)12(16)17-11/h2-5,11H,1,6-8,14H2.
What are the key properties of 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82084036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).