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

C20H25FN5O4P — CID 25006419

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCP(=O)(Cn4ccnc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H25FN5O4P/c1-15(27)23-11-17-12-26(20(28)30-17)16-2-3-19(18(21)10-16)25-6-8-31(29,9-7-25)14-24-5-4-22-13-24/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyBLOQMILXYLWDII-KRWDZBQOSA-N
MW449.42 g/mol
LogP2.32
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 25006419) has the molecular formula C20H25FN5O4P and a molecular weight of 449.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID25006419
Molecular FormulaC20H25FN5O4P
Molecular Weight449.42 g/mol
Exact Mass449.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCP(=O)(Cn4ccnc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H25FN5O4P/c1-15(27)23-11-17-12-26(20(28)30-17)16-2-3-19(18(21)10-16)25-6-8-31(29,9-7-25)14-24-5-4-22-13-24/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyBLOQMILXYLWDII-KRWDZBQOSA-N
XLogP2.32
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-fluoro-4-[4-(imidazol-1-ylmethyl)-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-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[4-(1,2,4-triazol-4-ylimino)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913066
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[3-fluoro-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67629569
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-(2,2,6,6-tetradeuteriomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158186766
N-[[3-[3-fluoro-4-[4-(1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67623432
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862063

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-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-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 25006419) is N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-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-fluoro-4-[4-(imidazol-1-ylmethyl)-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-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCP(=O)(Cn4ccnc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BLOQMILXYLWDII-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25FN5O4P/c1-15(27)23-11-17-12-26(20(28)30-17)16-2-3-19(18(21)10-16)25-6-8-31(29,9-7-25)14-24-5-4-22-13-24/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 449.42 g/mol, XLogP of 2.32, 6 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-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 25006419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).