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

C12H15FN2O2 — CID 115060000

IUPAC5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C12H15FN2O2/c13-9-3-5-10(6-4-9)15-8-11(2-1-7-14)17-12(15)16/h3-6,11H,1-2,7-8,14H2
InChIKeyQIAWHOHVLDXHEJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.89
Rot. Bonds4

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

5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 115060000) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID115060000
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C12H15FN2O2/c13-9-3-5-10(6-4-9)15-8-11(2-1-7-14)17-12(15)16/h3-6,11H,1-2,7-8,14H2
InChIKeyQIAWHOHVLDXHEJ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060075
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737212
5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 145463829
5-(3-aminopropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66736987
3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755381
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 115060000) is 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is NCCCC1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is QIAWHOHVLDXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-5-10(6-4-9)15-8-11(2-1-7-14)17-12(15)16/h3-6,11H,1-2,7-8,14H2.
What are the key properties of 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).