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

C20H20FN5O3 — CID 11668415

IUPAC(5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C20H20FN5O3/c1-20(2,28)18-6-3-13(10-22-18)16-5-4-14(9-17(16)21)26-12-15(29-19(26)27)11-25-8-7-23-24-25/h3-10,15,28H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyBSLOFZJAJURMRP-HNNXBMFYSA-N
MW397.41 g/mol
LogP2.73
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11668415) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11668415
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name(5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C20H20FN5O3/c1-20(2,28)18-6-3-13(10-22-18)16-5-4-14(9-17(16)21)26-12-15(29-19(26)27)11-25-8-7-23-24-25/h3-10,15,28H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyBSLOFZJAJURMRP-HNNXBMFYSA-N
XLogP2.73
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11668415) is (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-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-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC(C)(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is BSLOFZJAJURMRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-20(2,28)18-6-3-13(10-22-18)16-5-4-14(9-17(16)21)26-12-15(29-19(26)27)11-25-8-7-23-24-25/h3-10,15,28H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 397.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11668415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).