N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H25FN4O4 — CID 44574899

IUPACN-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2
InChIInChI=1S/C20H25FN4O4/c1-3-28-23-18-11-24(12-20(18)6-7-20)17-5-4-14(8-16(17)21)25-10-15(29-19(25)27)9-22-13(2)26/h4-5,8,15H,3,6-7,9-12H2,1-2H3,(H,22,26)/b23-18+/t15-/m0/s1
InChIKeyVLFNFDLJHCNSIX-CVIUTVQRSA-N
MW404.44 g/mol
LogP2.28
Rot. Bonds6

About N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 44574899) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID44574899
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC NameN-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2
InChIInChI=1S/C20H25FN4O4/c1-3-28-23-18-11-24(12-20(18)6-7-20)17-5-4-14(8-16(17)21)25-10-15(29-19(25)27)9-22-13(2)26/h4-5,8,15H,3,6-7,9-12H2,1-2H3,(H,22,26)/b23-18+/t15-/m0/s1
InChIKeyVLFNFDLJHCNSIX-CVIUTVQRSA-N
XLogP2.28
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3,5-difluoro-4-[(7Z)-7-methoxyimino-5-azaspiro[2.4]heptan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 46182570
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-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
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-[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-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[4-(3-ethylidene-4-oxopyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 158313314
ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
CID 70195667
N-[[3-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67692426
ethyl 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-azaspiro[2.5]octane-2-carboxylate
CID 11270450

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 44574899) is N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2.
What is the InChIKey of N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VLFNFDLJHCNSIX-CVIUTVQRSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-3-28-23-18-11-24(12-20(18)6-7-20)17-5-4-14(8-16(17)21)25-10-15(29-19(25)27)9-22-13(2)26/h4-5,8,15H,3,6-7,9-12H2,1-2H3,(H,22,26)/b23-18+/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 44574899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).