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

C15H20FN3O2 — CID 10780054

IUPAC(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H20FN3O2/c16-13-8-11(19-10-12(9-17)21-15(19)20)4-5-14(13)18-6-2-1-3-7-18/h4-5,8,12H,1-3,6-7,9-10,17H2/t12-/m0/s1
InChIKeyBJWDJHOKPLYNHX-LBPRGKRZSA-N
MW293.34 g/mol
LogP2.10
Rot. Bonds3

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

(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 10780054) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID10780054
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H20FN3O2/c16-13-8-11(19-10-12(9-17)21-15(19)20)4-5-14(13)18-6-2-1-3-7-18/h4-5,8,12H,1-3,6-7,9-10,17H2/t12-/m0/s1
InChIKeyBJWDJHOKPLYNHX-LBPRGKRZSA-N
XLogP2.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 10780054) is (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BJWDJHOKPLYNHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-13-8-11(19-10-12(9-17)21-15(19)20)4-5-14(13)18-6-2-1-3-7-18/h4-5,8,12H,1-3,6-7,9-10,17H2/t12-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10780054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).