N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H24FN5O6 — CID 11213626

IUPACN-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C34CNCC3C4N(C)c3ccc([N+](=O)[O-])o3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN5O6/c1-12(29)25-8-14-10-27(21(30)33-14)13-3-4-15(17(23)7-13)22-11-24-9-16(22)20(22)26(2)18-5-6-19(34-18)28(31)32/h3-7,14,16,20,24H,8-11H2,1-2H3,(H,25,29)/t14-,16?,20?,22?/m0/s1
InChIKeyGSKDMXRHQGIZTF-BPQZLMIXSA-N
MW473.46 g/mol
LogP1.76
Rot. Bonds7

About N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11213626) has the molecular formula C22H24FN5O6 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11213626
Molecular FormulaC22H24FN5O6
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C34CNCC3C4N(C)c3ccc([N+](=O)[O-])o3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN5O6/c1-12(29)25-8-14-10-27(21(30)33-14)13-3-4-15(17(23)7-13)22-11-24-9-16(22)20(22)26(2)18-5-6-19(34-18)28(31)32/h3-7,14,16,20,24H,8-11H2,1-2H3,(H,25,29)/t14-,16?,20?,22?/m0/s1
InChIKeyGSKDMXRHQGIZTF-BPQZLMIXSA-N
XLogP1.76
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70814047
N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57116641
N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68616391
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-(5-nitrofuran-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11167106
N-[[(5S)-3-[4-[(4aR,7aR)-1-formyl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[3,4-b]pyridin-7a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54125377
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-[3-methyl-4-[methyl-[2-(5-nitrofuran-2-yl)-2-oxoethyl]amino]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10302045
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10205744
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11213626) is N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C34CNCC3C4N(C)c3ccc([N+](=O)[O-])o3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GSKDMXRHQGIZTF-BPQZLMIXSA-N. The full InChI is InChI=1S/C22H24FN5O6/c1-12(29)25-8-14-10-27(21(30)33-14)13-3-4-15(17(23)7-13)22-11-24-9-16(22)20(22)26(2)18-5-6-19(34-18)28(31)32/h3-7,14,16,20,24H,8-11H2,1-2H3,(H,25,29)/t14-,16?,20?,22?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 473.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11213626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).