N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide

C20H27FN8O5 — CID 89217878

IUPACN-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide
SMILESCCN(CCON(C)C(=O)Cn1ncnn1)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C20H27FN8O5/c1-4-27(7-8-33-26(3)19(31)12-29-24-13-23-25-29)18-6-5-15(9-17(18)21)28-11-16(34-20(28)32)10-22-14(2)30/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3,(H,22,30)/t16-/m0/s1
InChIKeyGGLICPCMPFVSCU-INIZCTEOSA-N
MW478.49 g/mol
LogP0.19
Rot. Bonds11

About N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide

N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide (PubChem CID 89217878) has the molecular formula C20H27FN8O5 and a molecular weight of 478.49 g/mol. Its IUPAC name is N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide
PubChem CID89217878
Molecular FormulaC20H27FN8O5
Molecular Weight478.49 g/mol
Exact Mass478.21
IUPAC NameN-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide
SMILESCCN(CCON(C)C(=O)Cn1ncnn1)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C20H27FN8O5/c1-4-27(7-8-33-26(3)19(31)12-29-24-13-23-25-29)18-6-5-15(9-17(18)21)28-11-16(34-20(28)32)10-22-14(2)30/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3,(H,22,30)/t16-/m0/s1
InChIKeyGGLICPCMPFVSCU-INIZCTEOSA-N
XLogP0.19
TPSA135.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(2H-triazol-4-ylmethylamino)acetamide
CID 89217947
3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 90898439
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-[[3-[4-[ethenyl(propyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91428391
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-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
[3-[4-[ethyl(2-propan-2-yloxyethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 91354985
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide?
The IUPAC name of N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide (CID 89217878) is N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide is CCN(CCON(C)C(=O)Cn1ncnn1)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F.
What is the InChIKey of N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide?
The InChIKey is GGLICPCMPFVSCU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27FN8O5/c1-4-27(7-8-33-26(3)19(31)12-29-24-13-23-25-29)18-6-5-15(9-17(18)21)28-11-16(34-20(28)32)10-22-14(2)30/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3,(H,22,30)/t16-/m0/s1.
What are the key properties of N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide?
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide has a molecular weight of 478.49 g/mol, XLogP of 0.19, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethoxy]-N-methyl-2-(tetrazol-2-yl)acetamide is sourced from PubChem (CID 89217878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).