N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide

C20H24FN5O7 — CID 70848499

IUPACN'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide
SMILESCCN(CCNN(C)C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C20H24FN5O7/c1-3-24(9-8-22-23(2)19(28)17-6-7-18(33-17)26(30)31)16-5-4-13(10-15(16)21)25-11-14(12-27)32-20(25)29/h4-7,10,14,22,27H,3,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyOHWWNVLIUGWVRA-CQSZACIVSA-N
MW465.44 g/mol
LogP1.75
Rot. Bonds10

About N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide

N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide (PubChem CID 70848499) has the molecular formula C20H24FN5O7 and a molecular weight of 465.44 g/mol. Its IUPAC name is N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide
PubChem CID70848499
Molecular FormulaC20H24FN5O7
Molecular Weight465.44 g/mol
Exact Mass465.17
IUPAC NameN'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide
SMILESCCN(CCNN(C)C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C20H24FN5O7/c1-3-24(9-8-22-23(2)19(28)17-6-7-18(33-17)26(30)31)16-5-4-13(10-15(16)21)25-11-14(12-27)32-20(25)29/h4-7,10,14,22,27H,3,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyOHWWNVLIUGWVRA-CQSZACIVSA-N
XLogP1.75
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide with MolForge

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Related Compounds

2-[[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethylamino]-methylamino]-2-oxoacetic acid
CID 71043870
N-[[(5S)-3-[4-[ethyl-[2-[2-methyl-2-[2-(triazol-1-yl)acetyl]hydrazinyl]ethyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 71043915
N-[[(5S)-3-[4-[ethyl-[2-[methoxy(1,3-oxazol-2-ylcarbamoyl)amino]ethyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 89072860
3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 90898439
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
N-[[(5S)-3-[4-[2-[(4-aminophenyl)carbamoyl-(methylamino)amino]ethyl-ethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 89217889
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-2-(3-fluoropropylamino)-N-methylacetamide
CID 89067456
N-[[(5S)-3-[4-[ethyl-[2-[methylamino-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 71043923
methyl N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrofuran-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 11583499
[3-[4-[ethyl(2-propan-2-yloxyethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 91354985
N-[2-[4-[4-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl]-5-nitrofuran-2-carboxamide
CID 126540167
1-[[3-[3-fluoro-4-[methyl-[(5-nitrothiophen-2-yl)methyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylthiourea
CID 72787373

Frequently Asked Questions

What is the IUPAC name of N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide (CID 70848499) is N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide is CCN(CCNN(C)C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(N2C[C@H](CO)OC2=O)cc1F.
What is the InChIKey of N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide?
The InChIKey is OHWWNVLIUGWVRA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN5O7/c1-3-24(9-8-22-23(2)19(28)17-6-7-18(33-17)26(30)31)16-5-4-13(10-15(16)21)25-11-14(12-27)32-20(25)29/h4-7,10,14,22,27H,3,8-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide?
N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide has a molecular weight of 465.44 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[N-ethyl-2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethyl]-N-methyl-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 70848499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).