(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C28H31FN8O5 — CID 11541525

IUPAC(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(C(=O)COC[C@@H]2CC(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)=NO2)CC1
InChIInChI=1S/C28H31FN8O5/c1-34-8-10-35(11-9-34)27(38)18-40-17-21-13-26(32-42-21)25-5-2-19(14-30-25)23-4-3-20(12-24(23)29)37-16-22(41-28(37)39)15-36-7-6-31-33-36/h2-7,12,14,21-22H,8-11,13,15-18H2,1H3/t21-,22-/m0/s1
InChIKeyGOVANZYIRPMNBE-VXKWHMMOSA-N
MW578.61 g/mol
LogP1.79
Rot. Bonds9

About (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11541525) has the molecular formula C28H31FN8O5 and a molecular weight of 578.61 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11541525
Molecular FormulaC28H31FN8O5
Molecular Weight578.61 g/mol
Exact Mass578.24
IUPAC Name(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(C(=O)COC[C@@H]2CC(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)=NO2)CC1
InChIInChI=1S/C28H31FN8O5/c1-34-8-10-35(11-9-34)27(38)18-40-17-21-13-26(32-42-21)25-5-2-19(14-30-25)23-4-3-20(12-24(23)29)37-16-22(41-28(37)39)15-36-7-6-31-33-36/h2-7,12,14,21-22H,8-11,13,15-18H2,1H3/t21-,22-/m0/s1
InChIKeyGOVANZYIRPMNBE-VXKWHMMOSA-N
XLogP1.79
TPSA127.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.61
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-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
(1R,5S)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11156353
(1S,5R)-6-[5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11258898
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11293761
(1S,5R)-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11465441
(5R)-3-{3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11597959
(5R)-3-(3-fluoro-4-{6-[1-hydroxy-4-(4-methylpiperazin-1-yl)-butyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626925
(5R)-3-(3-Fluoro-4-{6-[(5S)-5-(hydroxymethyl)-4,5-dihydroisoxazol-3-yl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 9932836
3-[3-Fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10003297
(5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11213190
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate
CID 11215546
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11259807

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11541525) is (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-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-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN1CCN(C(=O)COC[C@@H]2CC(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)=NO2)CC1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is GOVANZYIRPMNBE-VXKWHMMOSA-N. The full InChI is InChI=1S/C28H31FN8O5/c1-34-8-10-35(11-9-34)27(38)18-40-17-21-13-26(32-42-21)25-5-2-19(14-30-25)23-4-3-20(12-24(23)29)37-16-22(41-28(37)39)15-36-7-6-31-33-36/h2-7,12,14,21-22H,8-11,13,15-18H2,1H3/t21-,22-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 578.61 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[(5S)-5-[[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11541525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).