(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

C16H19FN8O3 — CID 66546673

IUPAC(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
SMILESCn1nnnc1CN1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)C=N1
InChIInChI=1S/C16H19FN8O3/c1-22-15(19-20-21-22)8-24-5-4-23(10-18-24)14-3-2-11(6-13(14)17)25-7-12(9-26)28-16(25)27/h2-3,6,10,12,26H,4-5,7-9H2,1H3/t12-/m1/s1
InChIKeyBZISPZQQVFUARY-GFCCVEGCSA-N
MW390.38 g/mol
LogP-0.07
Rot. Bonds5

About (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

(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 (PubChem CID 66546673) has the molecular formula C16H19FN8O3 and a molecular weight of 390.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID66546673
Molecular FormulaC16H19FN8O3
Molecular Weight390.38 g/mol
Exact Mass390.16
IUPAC Name(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
SMILESCn1nnnc1CN1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)C=N1
InChIInChI=1S/C16H19FN8O3/c1-22-15(19-20-21-22)8-24-5-4-23(10-18-24)14-3-2-11(6-13(14)17)25-7-12(9-26)28-16(25)27/h2-3,6,10,12,26H,4-5,7-9H2,1H3/t12-/m1/s1
InChIKeyBZISPZQQVFUARY-GFCCVEGCSA-N
XLogP-0.07
TPSA112.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 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-[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
N-[[(5S)-3-[3-fluoro-4-[1-[(1-methylimidazol-2-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548797
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
(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
N-[[(5S)-3-[3-fluoro-4-[1-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548597
3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76734371
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
N-[[3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 74951064
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
N-[[(5S)-3-[3-fluoro-4-[1-[(5-formylthiophen-3-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548813

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1nnnc1CN1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)C=N1.
What is the InChIKey of (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?
The InChIKey is BZISPZQQVFUARY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN8O3/c1-22-15(19-20-21-22)8-24-5-4-23(10-18-24)14-3-2-11(6-13(14)17)25-7-12(9-26)28-16(25)27/h2-3,6,10,12,26H,4-5,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 390.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 66546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).