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

C17H20FN9O3 — CID 66548597

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C=NN(Cc4nn[nH]n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H20FN9O3/c1-11(28)19-7-13-8-27(17(29)30-13)12-2-3-15(14(18)6-12)25-4-5-26(20-10-25)9-16-21-23-24-22-16/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,19,28)(H,21,22,23,24)/t13-/m0/s1
InChIKeySTTPFLVDJYQYBX-ZDUSSCGKSA-N
MW417.41 g/mol
LogP0.07
Rot. Bonds6

About 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

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 (PubChem CID 66548597) has the molecular formula C17H20FN9O3 and a molecular weight of 417.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID66548597
Molecular FormulaC17H20FN9O3
Molecular Weight417.41 g/mol
Exact Mass417.17
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C=NN(Cc4nn[nH]n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H20FN9O3/c1-11(28)19-7-13-8-27(17(29)30-13)12-2-3-15(14(18)6-12)25-4-5-26(20-10-25)9-16-21-23-24-22-16/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,19,28)(H,21,22,23,24)/t13-/m0/s1
InChIKeySTTPFLVDJYQYBX-ZDUSSCGKSA-N
XLogP0.07
TPSA131.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[[3-[3-fluoro-4-(1-formyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75096148
N-[[3-[4-(1-cyano-5,6-dihydro-1,2,4-triazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane
CID 143963499
N-[[3-[3-fluoro-4-(1-methylsulfonyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70902105
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75096545
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862
N-[[(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58697749
(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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2ccc(N3C=NN(Cc4nn[nH]n4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is STTPFLVDJYQYBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN9O3/c1-11(28)19-7-13-8-27(17(29)30-13)12-2-3-15(14(18)6-12)25-4-5-26(20-10-25)9-16-21-23-24-22-16/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,19,28)(H,21,22,23,24)/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 417.41 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66548597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).