5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one

C17H21FN6O2 — CID 142276569

IUPAC5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC/N=N/N(CC)CC1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN6O2/c1-3-20-21-23(4-2)10-14-11-24(17(25)26-14)13-5-6-16(15(18)9-13)22-8-7-19-12-22/h5-9,12,14H,3-4,10-11H2,1-2H3/b21-20+
InChIKeyORPYFPAJDKJIAJ-QZQOTICOSA-N
MW360.39 g/mol
LogP3.05
Rot. Bonds7

About 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one

5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 142276569) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID142276569
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC/N=N/N(CC)CC1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN6O2/c1-3-20-21-23(4-2)10-14-11-24(17(25)26-14)13-5-6-16(15(18)9-13)22-8-7-19-12-22/h5-9,12,14H,3-4,10-11H2,1-2H3/b21-20+
InChIKeyORPYFPAJDKJIAJ-QZQOTICOSA-N
XLogP3.05
TPSA75.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
[(5R)-3-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 10760653
ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one
CID 143143143
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
3-[3-fluoro-4-(5-methylimidazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22996135
5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 86648044
1-[4-[(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrole-3-carbaldehyde
CID 143043563
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 23294656
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 143415420
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one (CID 142276569) is 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one is CC/N=N/N(CC)CC1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is ORPYFPAJDKJIAJ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-3-20-21-23(4-2)10-14-11-24(17(25)26-14)13-5-6-16(15(18)9-13)22-8-7-19-12-22/h5-9,12,14H,3-4,10-11H2,1-2H3/b21-20+.
What are the key properties of 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one?
5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 360.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142276569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).