(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one

C24H24FN7O4 — CID 162146765

IUPAC(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CCc5ccon5)OC4=O)cc3F)cn2)C=N1
InChIInChI=1S/C24H24FN7O4/c25-21-11-18(31-14-19(36-24(31)34)4-2-17-7-10-35-29-17)3-5-20(21)16-1-6-22(27-13-16)30-8-9-32(28-15-30)23(33)12-26/h1,3,5-7,10-11,13,15,19H,2,4,8-9,12,14,26H2/t19-/m0/s1
InChIKeyMDWJQOUXHABHBM-IBGZPJMESA-N
MW493.50 g/mol
LogP2.38
Rot. Bonds7

About (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one

(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 162146765) has the molecular formula C24H24FN7O4 and a molecular weight of 493.50 g/mol. Its IUPAC name is (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID162146765
Molecular FormulaC24H24FN7O4
Molecular Weight493.50 g/mol
Exact Mass493.19
IUPAC Name(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CCc5ccon5)OC4=O)cc3F)cn2)C=N1
InChIInChI=1S/C24H24FN7O4/c25-21-11-18(31-14-19(36-24(31)34)4-2-17-7-10-35-29-17)3-5-20(21)16-1-6-22(27-13-16)30-8-9-32(28-15-30)23(33)12-26/h1,3,5-7,10-11,13,15,19H,2,4,8-9,12,14,26H2/t19-/m0/s1
InChIKeyMDWJQOUXHABHBM-IBGZPJMESA-N
XLogP2.38
TPSA130.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159018748
methyl 3-[(5S)-3-[4-[6-(1-carbamoyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate;methyl 3-[(5S)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate;hydrochloride
CID 159148045
(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 58361773
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
N-[4-[2-fluoro-4-[(5S)-5-[2-(1,2-oxazol-3-yl)ethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10226661
(2-chloro-2-oxoethyl) acetate;(5S)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 123858796
[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11272471
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one (CID 162146765) is (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one is NCC(=O)N1CCN(c2ccc(-c3ccc(N4C[C@H](CCc5ccon5)OC4=O)cc3F)cn2)C=N1.
What is the InChIKey of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is MDWJQOUXHABHBM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24FN7O4/c25-21-11-18(31-14-19(36-24(31)34)4-2-17-7-10-35-29-17)3-5-20(21)16-1-6-22(27-13-16)30-8-9-32(28-15-30)23(33)12-26/h1,3,5-7,10-11,13,15,19H,2,4,8-9,12,14,26H2/t19-/m0/s1.
What are the key properties of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 493.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162146765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).