4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide

C12H14FN3O3 — CID 174442918

IUPAC4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide
SMILESNC[C@H]1CN(c2ccc(C(N)=O)c(F)c2)C(C=O)O1
InChIInChI=1S/C12H14FN3O3/c13-10-3-7(1-2-9(10)12(15)18)16-5-8(4-14)19-11(16)6-17/h1-3,6,8,11H,4-5,14H2,(H2,15,18)/t8-,11?/m0/s1
InChIKeyQARXFCFESUOYIJ-YMNIQAILSA-N
MW267.26 g/mol
LogP-0.39
Rot. Bonds4

About 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide

4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide (PubChem CID 174442918) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide
PubChem CID174442918
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide
SMILESNC[C@H]1CN(c2ccc(C(N)=O)c(F)c2)C(C=O)O1
InChIInChI=1S/C12H14FN3O3/c13-10-3-7(1-2-9(10)12(15)18)16-5-8(4-14)19-11(16)6-17/h1-3,6,8,11H,4-5,14H2,(H2,15,18)/t8-,11?/m0/s1
InChIKeyQARXFCFESUOYIJ-YMNIQAILSA-N
XLogP-0.39
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide 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 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide?
The IUPAC name of 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide (CID 174442918) is 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide?
The canonical SMILES for 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide is NC[C@H]1CN(c2ccc(C(N)=O)c(F)c2)C(C=O)O1.
What is the InChIKey of 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide?
The InChIKey is QARXFCFESUOYIJ-YMNIQAILSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-3-7(1-2-9(10)12(15)18)16-5-8(4-14)19-11(16)6-17/h1-3,6,8,11H,4-5,14H2,(H2,15,18)/t8-,11?/m0/s1.
What are the key properties of 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide?
4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide has a molecular weight of 267.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(aminomethyl)-2-formyl-1,3-oxazolidin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 174442918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).