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

C11H13FN2O2 — CID 115060196

IUPAC4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1Cc1ccccc1F
InChIInChI=1S/C11H13FN2O2/c12-10-4-2-1-3-8(10)6-14-9(5-13)7-16-11(14)15/h1-4,9H,5-7,13H2
InChIKeyLLUYFULRTUYCPD-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.11
Rot. Bonds3

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

4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060196) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060196
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1Cc1ccccc1F
InChIInChI=1S/C11H13FN2O2/c12-10-4-2-1-3-8(10)6-14-9(5-13)7-16-11(14)15/h1-4,9H,5-7,13H2
InChIKeyLLUYFULRTUYCPD-UHFFFAOYSA-N
XLogP1.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
CID 97274733
1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007161
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060196) is 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one is NCC1COC(=O)N1Cc1ccccc1F.
What is the InChIKey of 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LLUYFULRTUYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-4-2-1-3-8(10)6-14-9(5-13)7-16-11(14)15/h1-4,9H,5-7,13H2.
What are the key properties of 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 224.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).