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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Related Compounds

3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060075
methyl 4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 57487855
3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82088828
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-(1,3-benzodioxol-5-yl)-3-(2-chloroethyl)-1,3-oxazolidin-2-one
CID 82092989
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 101260868

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).