N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H16FN5O4 — CID 58239209

IUPACN-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(C=O)nn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16FN5O4/c1-11(27)21-7-14-9-24(19(28)29-14)13-3-4-15(16(20)6-13)12-2-5-18-22-17(10-26)23-25(18)8-12/h2-6,8,10,14H,7,9H2,1H3,(H,21,27)/t14-/m0/s1
InChIKeyRTQFQYISGUMOKA-AWEZNQCLSA-N
MW397.37 g/mol
LogP1.81
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58239209) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58239209
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(C=O)nn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H16FN5O4/c1-11(27)21-7-14-9-24(19(28)29-14)13-3-4-15(16(20)6-13)12-2-5-18-22-17(10-26)23-25(18)8-12/h2-6,8,10,14H,7,9H2,1H3,(H,21,27)/t14-/m0/s1
InChIKeyRTQFQYISGUMOKA-AWEZNQCLSA-N
XLogP1.81
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 123537741
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 159839371
ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142997006
N-[[(5S)-3-[3-fluoro-4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239262
N-[[(5S)-3-[4-[4-[(5-aminotetrazol-1-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11604263
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58239209) is N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(C=O)nn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RTQFQYISGUMOKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN5O4/c1-11(27)21-7-14-9-24(19(28)29-14)13-3-4-15(16(20)6-13)12-2-5-18-22-17(10-26)23-25(18)8-12/h2-6,8,10,14H,7,9H2,1H3,(H,21,27)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 397.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58239209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).