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

C28H34FN3O5 — CID 6482309

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C28H34FN3O5/c1-19(2)15-20-3-5-21(6-4-20)26(33)9-10-27(34)30-17-23-18-32(28(35)37-23)22-7-8-25(24(29)16-22)31-11-13-36-14-12-31/h3-8,16,19,23H,9-15,17-18H2,1-2H3,(H,30,34)/t23-/m0/s1
InChIKeyWKWKXPHFTOIMQB-QHCPKHFHSA-N
MW511.59 g/mol
LogP3.97
Rot. Bonds10

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

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (PubChem CID 6482309) has the molecular formula C28H34FN3O5 and a molecular weight of 511.59 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-(2-methylpropyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
PubChem CID6482309
Molecular FormulaC28H34FN3O5
Molecular Weight511.59 g/mol
Exact Mass511.25
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C28H34FN3O5/c1-19(2)15-20-3-5-21(6-4-20)26(33)9-10-27(34)30-17-23-18-32(28(35)37-23)22-7-8-25(24(29)16-22)31-11-13-36-14-12-31/h3-8,16,19,23H,9-15,17-18H2,1-2H3,(H,30,34)/t23-/m0/s1
InChIKeyWKWKXPHFTOIMQB-QHCPKHFHSA-N
XLogP3.97
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-((S)-3-{3-Fluoro-4-[(Z)-2-fluoro-2-(3-formyl-phenyl)-vinyl]-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10222607
N-[[(5S)-3-[(6E)-6-[(4-fluorophenyl)methylidene]-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44418419
N-{3-[4-(4-Fluorobenzoyl)piperidin-1-yl]propyl}-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514962
N-{4-[4-(4-Fluorobenzoyl)piperidin-1-yl]butyl}-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514963
N-[5-[4-(4-fluorobenzoyl)-1-piperidyl]pentyl]-1-methyl-5-oxo-N-phenyl-pyrrolidine-3-carboxamide
CID 514964
3-(2-fluoro-4-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
CID 49847832
N-cyclopropyl-3-(2-fluoro-4-methylphenyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
CID 49847836

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-(2-methylpropyl)phenyl]-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-(2-methylpropyl)phenyl]-4-oxobutanamide (CID 6482309) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-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-(2-methylpropyl)phenyl]-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-(2-methylpropyl)phenyl]-4-oxobutanamide is CC(C)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-(2-methylpropyl)phenyl]-4-oxobutanamide?
The InChIKey is WKWKXPHFTOIMQB-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34FN3O5/c1-19(2)15-20-3-5-21(6-4-20)26(33)9-10-27(34)30-17-23-18-32(28(35)37-23)22-7-8-25(24(29)16-22)31-11-13-36-14-12-31/h3-8,16,19,23H,9-15,17-18H2,1-2H3,(H,30,34)/t23-/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-(2-methylpropyl)phenyl]-4-oxobutanamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide has a molecular weight of 511.59 g/mol, XLogP of 3.97, 10 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-(2-methylpropyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 6482309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).