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

C28H27FN3O6- — CID 87537176

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide
SMILESO=C(CCC(=O)N([O-])C[C@@H]1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1)c1ccc2ccccc2c1
InChIInChI=1S/C28H27FN3O6/c29-24-14-21(7-8-23(24)26-15-30-11-12-37-26)31-16-22(38-28(31)35)17-32(36)27(34)10-9-25(33)20-6-5-18-3-1-2-4-19(18)13-20/h1-8,13-14,22,26,30H,9-12,15-17H2/q-1/t22-,26?/m0/s1
InChIKeyHMDCRKPVLPPIAD-CHQVSRGASA-N
MW520.54 g/mol
LogP3.95
Rot. Bonds8

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

N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide (PubChem CID 87537176) has the molecular formula C28H27FN3O6- and a molecular weight of 520.54 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide
PubChem CID87537176
Molecular FormulaC28H27FN3O6-
Molecular Weight520.54 g/mol
Exact Mass520.19
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide
SMILESO=C(CCC(=O)N([O-])C[C@@H]1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1)c1ccc2ccccc2c1
InChIInChI=1S/C28H27FN3O6/c29-24-14-21(7-8-23(24)26-15-30-11-12-37-26)31-16-22(38-28(31)35)17-32(36)27(34)10-9-25(33)20-6-5-18-3-1-2-4-19(18)13-20/h1-8,13-14,22,26,30H,9-12,15-17H2/q-1/t22-,26?/m0/s1
InChIKeyHMDCRKPVLPPIAD-CHQVSRGASA-N
XLogP3.95
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 20842786
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 6482331
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54325845
N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide
CID 91085317
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
[(5S)-3-[3-fluoro-4-(3-methyl-2-sulfanylideneimidazolidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl-methylcarbamothioic S-acid
CID 91535704
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
(Z)-N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobut-2-enamide
CID 10459310
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
CID 68674342
[(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 90700530

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide (CID 87537176) is N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide is O=C(CCC(=O)N([O-])C[C@@H]1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide?
The InChIKey is HMDCRKPVLPPIAD-CHQVSRGASA-N. The full InChI is InChI=1S/C28H27FN3O6/c29-24-14-21(7-8-23(24)26-15-30-11-12-37-26)31-16-22(38-28(31)35)17-32(36)27(34)10-9-25(33)20-6-5-18-3-1-2-4-19(18)13-20/h1-8,13-14,22,26,30H,9-12,15-17H2/q-1/t22-,26?/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide has a molecular weight of 520.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-N-oxido-4-oxobutanamide is sourced from PubChem (CID 87537176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).