2-(dimethylamino)-N-[[(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]-N-methylacetamide

C26H29FN8O4 — CID 11504771

IUPAC2-(dimethylamino)-N-[[(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]-N-methylacetamide
SMILESCN(C)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H29FN8O4/c1-32(2)16-25(36)33(3)13-19-11-24(30-39-19)23-7-4-17(12-28-23)21-6-5-18(10-22(21)27)35-15-20(38-26(35)37)14-34-9-8-29-31-34/h4-10,12,19-20H,11,13-16H2,1-3H3/t19-,20-/m0/s1
InChIKeyTVLJJKWBJNOREM-PMACEKPBSA-N
MW536.57 g/mol
LogP2.02
Rot. Bonds9

About 2-(dimethylamino)-N-[[(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]-N-methylacetamide

2-(dimethylamino)-N-[[(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]-N-methylacetamide (PubChem CID 11504771) has the molecular formula C26H29FN8O4 and a molecular weight of 536.57 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[(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]-N-methylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[(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]-N-methylacetamide
PubChem CID11504771
Molecular FormulaC26H29FN8O4
Molecular Weight536.57 g/mol
Exact Mass536.23
IUPAC Name2-(dimethylamino)-N-[[(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]-N-methylacetamide
SMILESCN(C)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H29FN8O4/c1-32(2)16-25(36)33(3)13-19-11-24(30-39-19)23-7-4-17(12-28-23)21-6-5-18(10-22(21)27)35-15-20(38-26(35)37)14-34-9-8-29-31-34/h4-10,12,19-20H,11,13-16H2,1-3H3/t19-,20-/m0/s1
InChIKeyTVLJJKWBJNOREM-PMACEKPBSA-N
XLogP2.02
TPSA118.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.57
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(dimethylamino)-N-[[(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]-N-methylacetamide 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-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10337483
(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
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 11190371

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[(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]-N-methylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[[(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]-N-methylacetamide (CID 11504771) is 2-(dimethylamino)-N-[[(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]-N-methylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[(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]-N-methylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[(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]-N-methylacetamide is CN(C)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-(dimethylamino)-N-[[(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]-N-methylacetamide?
The InChIKey is TVLJJKWBJNOREM-PMACEKPBSA-N. The full InChI is InChI=1S/C26H29FN8O4/c1-32(2)16-25(36)33(3)13-19-11-24(30-39-19)23-7-4-17(12-28-23)21-6-5-18(10-22(21)27)35-15-20(38-26(35)37)14-34-9-8-29-31-34/h4-10,12,19-20H,11,13-16H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[[(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]-N-methylacetamide?
2-(dimethylamino)-N-[[(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]-N-methylacetamide has a molecular weight of 536.57 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[(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]-N-methylacetamide is sourced from PubChem (CID 11504771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).