2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid

C27H29FN8O6 — CID 11534369

IUPAC2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C27H29FN8O6/c1-33(16-26(38)39)15-25(37)34(2)12-19-10-24(31-42-19)23-6-3-17(11-29-23)21-5-4-18(9-22(21)28)36-14-20(41-27(36)40)13-35-8-7-30-32-35/h3-9,11,19-20H,10,12-16H2,1-2H3,(H,38,39)/t19-,20-/m0/s1
InChIKeySZVSRTRBRBWUIZ-PMACEKPBSA-N
MW580.58 g/mol
LogP1.47
Rot. Bonds11

About 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 11534369) has the molecular formula C27H29FN8O6 and a molecular weight of 580.58 g/mol. Its IUPAC name is 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID11534369
Molecular FormulaC27H29FN8O6
Molecular Weight580.58 g/mol
Exact Mass580.22
IUPAC Name2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C27H29FN8O6/c1-33(16-26(38)39)15-25(37)34(2)12-19-10-24(31-42-19)23-6-3-17(11-29-23)21-5-4-18(9-22(21)28)36-14-20(41-27(36)40)13-35-8-7-30-32-35/h3-9,11,19-20H,10,12-16H2,1-2H3,(H,38,39)/t19-,20-/m0/s1
InChIKeySZVSRTRBRBWUIZ-PMACEKPBSA-N
XLogP1.47
TPSA155.58 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.58
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid 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-[4-(6-acetylpyridin-3-yl)-3-fluorophenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626771
(5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11603378
(5R)-3-{3-Fluoro-4-[6-(1-hydroxy-1-methylethyl)pyridin-3-yl]phenyl}-5-(1-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11668415
(5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624703
(5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626439
(5R)-3-{3-fluoro-4-[6-(methoxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626435
(5R)-3-(3-fluoro-4-{6-[(1R)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626436
(5R)-3-(3-fluoro-4-{6-[(1S)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
(5R)-3-(3-Fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyrid-3-yl)phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10432307
(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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid (CID 11534369) is 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.
What is the InChIKey of 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is SZVSRTRBRBWUIZ-PMACEKPBSA-N. The full InChI is InChI=1S/C27H29FN8O6/c1-33(16-26(38)39)15-25(37)34(2)12-19-10-24(31-42-19)23-6-3-17(11-29-23)21-5-4-18(9-22(21)28)36-14-20(41-27(36)40)13-35-8-7-30-32-35/h3-9,11,19-20H,10,12-16H2,1-2H3,(H,38,39)/t19-,20-/m0/s1.
What are the key properties of 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 580.58 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 11534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).