(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one

C13H13FN4O2 — CID 10826304

IUPAC(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H13FN4O2/c14-11-5-9(18-7-10(6-15)20-13(18)19)1-2-12(11)17-4-3-16-8-17/h1-5,8,10H,6-7,15H2/t10-/m0/s1
InChIKeyKAXAROHGAUEOOF-JTQLQIEISA-N
MW276.27 g/mol
LogP1.30
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 10826304) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID10826304
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H13FN4O2/c14-11-5-9(18-7-10(6-15)20-13(18)19)1-2-12(11)17-4-3-16-8-17/h1-5,8,10H,6-7,15H2/t10-/m0/s1
InChIKeyKAXAROHGAUEOOF-JTQLQIEISA-N
XLogP1.30
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one (CID 10826304) is (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is KAXAROHGAUEOOF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-11-5-9(18-7-10(6-15)20-13(18)19)1-2-12(11)17-4-3-16-8-17/h1-5,8,10H,6-7,15H2/t10-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 276.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10826304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).