5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

C14H18FN3O3 — CID 175215345

IUPAC5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2N2CCOCC2F)C(=O)O1
InChIInChI=1S/C14H18FN3O3/c15-13-9-20-6-5-17(13)11-3-1-2-4-12(11)18-8-10(7-16)21-14(18)19/h1-4,10,13H,5-9,16H2
InChIKeyBPFXQWUSCHJVID-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.10
Rot. Bonds3

About 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 175215345) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID175215345
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2N2CCOCC2F)C(=O)O1
InChIInChI=1S/C14H18FN3O3/c15-13-9-20-6-5-17(13)11-3-1-2-4-12(11)18-8-10(7-16)21-14(18)19/h1-4,10,13H,5-9,16H2
InChIKeyBPFXQWUSCHJVID-UHFFFAOYSA-N
XLogP1.10
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66700399
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
CID 70285284
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 23394079
4-[3-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-5-fluorophenyl]morpholin-3-one
CID 141387165
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one (CID 175215345) is 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one is NCC1CN(c2ccccc2N2CCOCC2F)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BPFXQWUSCHJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-13-9-20-6-5-17(13)11-3-1-2-4-12(11)18-8-10(7-16)21-14(18)19/h1-4,10,13H,5-9,16H2.
What are the key properties of 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 295.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175215345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).