3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C16H17FN6O3S — CID 77136821

IUPAC3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1nnc(N2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)s1
InChIInChI=1S/C16H17FN6O3S/c1-10-19-20-15(27-10)23-5-4-21(9-18-23)14-3-2-11(6-13(14)17)22-7-12(8-24)26-16(22)25/h2-3,6,9,12,24H,4-5,7-8H2,1H3
InChIKeyWZIUBPNYJSIBPJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.57
Rot. Bonds4

About 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 77136821) has the molecular formula C16H17FN6O3S and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID77136821
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC Name3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1nnc(N2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)s1
InChIInChI=1S/C16H17FN6O3S/c1-10-19-20-15(27-10)23-5-4-21(9-18-23)14-3-2-11(6-13(14)17)22-7-12(8-24)26-16(22)25/h2-3,6,9,12,24H,4-5,7-8H2,1H3
InChIKeyWZIUBPNYJSIBPJ-UHFFFAOYSA-N
XLogP1.57
TPSA94.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[4-(1-ethyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58361756
3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76734371
(5R)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;methane;methanol
CID 161164741
(5R)-3-[3-fluoro-4-[1-[(1-methyltetrazol-5-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66546673
N-[[(5S)-3-[3-fluoro-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 54417779
3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 77136616
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-[3-fluoro-4-(5-methylimidazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22996135

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 77136821) is 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is Cc1nnc(N2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)s1.
What is the InChIKey of 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is WZIUBPNYJSIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c1-10-19-20-15(27-10)23-5-4-21(9-18-23)14-3-2-11(6-13(14)17)22-7-12(8-24)26-16(22)25/h2-3,6,9,12,24H,4-5,7-8H2,1H3.
What are the key properties of 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 392.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 77136821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).