(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C21H23FN6O3 — CID 11661838

IUPAC(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN(C)CC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C21H23FN6O3/c1-26(2)13-20(29)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)28-12-16(31-21(28)30)11-27-8-7-24-25-27/h3-10,16,20,29H,11-13H2,1-2H3/t16-,20?/m0/s1
InChIKeyJQOOLVCGBWIAAM-DJZRFWRSSA-N
MW426.45 g/mol
LogP2.10
Rot. Bonds7

About (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11661838) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11661838
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN(C)CC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C21H23FN6O3/c1-26(2)13-20(29)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)28-12-16(31-21(28)30)11-27-8-7-24-25-27/h3-10,16,20,29H,11-13H2,1-2H3/t16-,20?/m0/s1
InChIKeyJQOOLVCGBWIAAM-DJZRFWRSSA-N
XLogP2.10
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[(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-[1-hydroxy-2-(isopropylamino)ethyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11510480
(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-{4-[6-(1,2-dihydroxyethyl)pyridin-3-yl]-3-fluorophenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11632704
(5R)-3-(3-fluoro-4-{6-[hydroxy(piperidin-4-yl)methyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624706

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11661838) is (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN(C)CC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JQOOLVCGBWIAAM-DJZRFWRSSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-26(2)13-20(29)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)28-12-16(31-21(28)30)11-27-8-7-24-25-27/h3-10,16,20,29H,11-13H2,1-2H3/t16-,20?/m0/s1.
What are the key properties of (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 426.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-[2-(dimethylamino)-1-hydroxyethyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11661838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).