N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H23F3N3O4P — CID 25006795

IUPACN-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCP(=O)(c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23F3N3O4P/c1-14(29)26-12-17-13-28(22(30)32-17)16-10-19(24)21(20(25)11-16)27-6-8-33(31,9-7-27)18-4-2-15(23)3-5-18/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyUXANMGBUTYGKGK-KRWDZBQOSA-N
MW481.41 g/mol
LogP3.07
Rot. Bonds5

About N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 25006795) has the molecular formula C22H23F3N3O4P and a molecular weight of 481.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID25006795
Molecular FormulaC22H23F3N3O4P
Molecular Weight481.41 g/mol
Exact Mass481.14
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCP(=O)(c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23F3N3O4P/c1-14(29)26-12-17-13-28(22(30)32-17)16-10-19(24)21(20(25)11-16)27-6-8-33(31,9-7-27)18-4-2-15(23)3-5-18/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyUXANMGBUTYGKGK-KRWDZBQOSA-N
XLogP3.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25004975
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
N-[[3-[3,5-difluoro-4-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67499529
N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68940178
N-[[3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 135148499
N-[[3-[4-[4-(benzotriazol-2-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68939949
N-[[(5S)-3-[4-[3-(carbamoylamino)pyrrolidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155319476
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[3-[3,5-difluoro-4-(6-oxo-1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155327147
methyl N-[(1R,5S)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 59996387

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 25006795) is N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCP(=O)(c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UXANMGBUTYGKGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23F3N3O4P/c1-14(29)26-12-17-13-28(22(30)32-17)16-10-19(24)21(20(25)11-16)27-6-8-33(31,9-7-27)18-4-2-15(23)3-5-18/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 481.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[4-(4-fluorophenyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 25006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).