(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C14H17F2N3O3 — CID 126496052

IUPAC(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2cc(F)c(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H17F2N3O3/c15-11-5-9(19-8-10(7-17)22-14(19)20)6-12(16)13(11)18-1-3-21-4-2-18/h5-6,10H,1-4,7-8,17H2/t10-/m0/s1
InChIKeyDWLXXDOLQZKKMN-JTQLQIEISA-N
MW313.30 g/mol
LogP1.09
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 126496052) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID126496052
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2cc(F)c(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H17F2N3O3/c15-11-5-9(19-8-10(7-17)22-14(19)20)6-12(16)13(11)18-1-3-21-4-2-18/h5-6,10H,1-4,7-8,17H2/t10-/m0/s1
InChIKeyDWLXXDOLQZKKMN-JTQLQIEISA-N
XLogP1.09
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 126496052) is (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2cc(F)c(N3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DWLXXDOLQZKKMN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2N3O3/c15-11-5-9(19-8-10(7-17)22-14(19)20)6-12(16)13(11)18-1-3-21-4-2-18/h5-6,10H,1-4,7-8,17H2/t10-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 313.30 g/mol, XLogP of 1.09, 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-(3,5-difluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 126496052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).