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

C25H28FN3O5 — CID 6482303

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C25H28FN3O5/c1-17-2-4-18(5-3-17)23(30)8-9-24(31)27-15-20-16-29(25(32)34-20)19-6-7-22(21(26)14-19)28-10-12-33-13-11-28/h2-7,14,20H,8-13,15-16H2,1H3,(H,27,31)/t20-/m0/s1
InChIKeyGBXIIZZSWCSBCE-FQEVSTJZSA-N
MW469.51 g/mol
LogP3.08
Rot. Bonds8

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

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 6482303) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID6482303
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C25H28FN3O5/c1-17-2-4-18(5-3-17)23(30)8-9-24(31)27-15-20-16-29(25(32)34-20)19-6-7-22(21(26)14-19)28-10-12-33-13-11-28/h2-7,14,20H,8-13,15-16H2,1H3,(H,27,31)/t20-/m0/s1
InChIKeyGBXIIZZSWCSBCE-FQEVSTJZSA-N
XLogP3.08
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-4-(4-methylphenyl)-4-oxobutanamide with MolForge

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Related Compounds

Ethyl 4-{5-[(2,4-difluorophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL}piperidine-1-carboxylate
CID 5309043
4-[7-[(4-Fluorophenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester
CID 9550958
4-tert-butyl-N-[4-(4-morpholinyl)phenyl]benzamide
CID 671014
4-methyl-N-[3-(4-morpholinylcarbonyl)phenyl]benzamide
CID 2221314
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417658
4-methyl-N-[3-(4-morpholinyl)propyl]-3-(2-oxo-1-pyrrolidinyl)benzamide
CID 3242767
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 24983031
[3-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164610442
[4-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164621959
4-isopropyl-N-[4-(4-morpholinyl)phenyl]benzamide
CID 738877
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide
CID 679960
(S)-N-((3-(4-acetylphenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 9882056

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]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide (CID 6482303) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is GBXIIZZSWCSBCE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-17-2-4-18(5-3-17)23(30)8-9-24(31)27-15-20-16-29(25(32)34-20)19-6-7-22(21(26)14-19)28-10-12-33-13-11-28/h2-7,14,20H,8-13,15-16H2,1H3,(H,27,31)/t20-/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]-4-(4-methylphenyl)-4-oxobutanamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 469.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 6482303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).