N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C21H22FN3O4 — CID 90139595

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccccc1
InChIInChI=1S/C21H22FN3O4/c22-18-12-16(6-7-19(18)24-8-10-28-11-9-24)25-14-17(29-21(25)27)13-23-20(26)15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,26)/t17-/m0/s1
InChIKeyDAIFBKUCKCDBSK-KRWDZBQOSA-N
MW399.42 g/mol
LogP2.42
Rot. Bonds5

About N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 90139595) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID90139595
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccccc1
InChIInChI=1S/C21H22FN3O4/c22-18-12-16(6-7-19(18)24-8-10-28-11-9-24)25-14-17(29-21(25)27)13-23-20(26)15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,26)/t17-/m0/s1
InChIKeyDAIFBKUCKCDBSK-KRWDZBQOSA-N
XLogP2.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide 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 N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 90139595) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccccc1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is DAIFBKUCKCDBSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-18-12-16(6-7-19(18)24-8-10-28-11-9-24)25-14-17(29-21(25)27)13-23-20(26)15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 399.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 90139595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).