(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C22H21FN8O4 — CID 70810517

IUPAC(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1
InChIInChI=1S/C22H21FN8O4/c23-19-9-16(30-12-17(35-22(30)34)11-29-6-5-25-27-29)2-3-18(19)15-1-4-20(24-10-15)28-7-8-31(26-14-28)21(33)13-32/h1-6,9-10,14,17,32H,7-8,11-13H2/t17-/m0/s1
InChIKeyHQIKZQXKXWQZSZ-KRWDZBQOSA-N
MW480.46 g/mol
LogP1.09
Rot. Bonds6

About (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 70810517) has the molecular formula C22H21FN8O4 and a molecular weight of 480.46 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID70810517
Molecular FormulaC22H21FN8O4
Molecular Weight480.46 g/mol
Exact Mass480.17
IUPAC Name(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1
InChIInChI=1S/C22H21FN8O4/c23-19-9-16(30-12-17(35-22(30)34)11-29-6-5-25-27-29)2-3-18(19)15-1-4-20(24-10-15)28-7-8-31(26-14-28)21(33)13-32/h1-6,9-10,14,17,32H,7-8,11-13H2/t17-/m0/s1
InChIKeyHQIKZQXKXWQZSZ-KRWDZBQOSA-N
XLogP1.09
TPSA129.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56924762
(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58239151
(5R)-3-(3-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58239210
(5R)-3-(3-fluoro-4-imidazo[1,2-a]pyridin-7-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58239274
(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58239287
[2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 90244552
N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide
CID 52916338
(5R)-3-[3-fluoro-4-[6-(1,2,5-oxadiazepan-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73354050
N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 73355582
(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73355583
(5R)-3-[3-fluoro-4-[6-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 145974179

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 70810517) is (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is HQIKZQXKXWQZSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21FN8O4/c23-19-9-16(30-12-17(35-22(30)34)11-29-6-5-25-27-29)2-3-18(19)15-1-4-20(24-10-15)28-7-8-31(26-14-28)21(33)13-32/h1-6,9-10,14,17,32H,7-8,11-13H2/t17-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 480.46 g/mol, XLogP of 1.09, 6 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-[6-[1-(2-hydroxyacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70810517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).