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

C24H24F3N3O5 — CID 6482310

IUPAC4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24F3N3O5/c25-15-1-3-18(19(26)11-15)22(31)5-6-23(32)28-13-17-14-30(24(33)35-17)16-2-4-21(20(27)12-16)29-7-9-34-10-8-29/h1-4,11-12,17H,5-10,13-14H2,(H,28,32)/t17-/m0/s1
InChIKeyQTAKPBGAXAOMOX-KRWDZBQOSA-N
MW491.47 g/mol
LogP3.05
Rot. Bonds8

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

4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 6482310) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
PubChem CID6482310
Molecular FormulaC24H24F3N3O5
Molecular Weight491.47 g/mol
Exact Mass491.17
IUPAC Name4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24F3N3O5/c25-15-1-3-18(19(26)11-15)22(31)5-6-23(32)28-13-17-14-30(24(33)35-17)16-2-4-21(20(27)12-16)29-7-9-34-10-8-29/h1-4,11-12,17H,5-10,13-14H2,(H,28,32)/t17-/m0/s1
InChIKeyQTAKPBGAXAOMOX-KRWDZBQOSA-N
XLogP3.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}benzamide
CID 9932394
3-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11517577
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
4-[7-[(4-Fluorophenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester
CID 9550958
2-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11546456
3-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 851469
2-fluoro-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 961046
3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2092690
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417658
tert-butyl 4-[4-(acetylamino)(benzoyl)anilino]tetrahydro-1(2H)-pyridinecarboxylate
CID 16413903
4-(3-Anilino-1-piperidinyl)-1-(4-fluorophenyl)-4-oxo-1-butanone
CID 24791850
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 24983031

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 6482310) is 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1F)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The InChIKey is QTAKPBGAXAOMOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24F3N3O5/c25-15-1-3-18(19(26)11-15)22(31)5-6-23(32)28-13-17-14-30(24(33)35-17)16-2-4-21(20(27)12-16)29-7-9-34-10-8-29/h1-4,11-12,17H,5-10,13-14H2,(H,28,32)/t17-/m0/s1.
What are the key properties of 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 491.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 6482310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).