4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one

C11H13FN2O2 — CID 115062497

IUPAC4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1NC(=O)OC1Cc1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15)
InChIKeyFHJFJQHRTMZDHH-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.80
Rot. Bonds3

About 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one

4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115062497) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115062497
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1NC(=O)OC1Cc1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15)
InChIKeyFHJFJQHRTMZDHH-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
(4R)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393632
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261676
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82389065
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
CID 67959001
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 115062497) is 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one is NCC1NC(=O)OC1Cc1cccc(F)c1.
What is the InChIKey of 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is FHJFJQHRTMZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 224.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115062497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).