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

C19H15FN8O2 — CID 11269746

IUPAC(5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(-n3cncn3)nc2)c(F)c1
InChIInChI=1S/C19H15FN8O2/c20-17-7-14(27-10-15(30-19(27)29)9-26-6-5-23-25-26)2-3-16(17)13-1-4-18(22-8-13)28-12-21-11-24-28/h1-8,11-12,15H,9-10H2/t15-/m0/s1
InChIKeyFVRQLNIWHJZFJX-HNNXBMFYSA-N
MW406.38 g/mol
LogP2.09
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11269746) has the molecular formula C19H15FN8O2 and a molecular weight of 406.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11269746
Molecular FormulaC19H15FN8O2
Molecular Weight406.38 g/mol
Exact Mass406.13
IUPAC Name(5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(-n3cncn3)nc2)c(F)c1
InChIInChI=1S/C19H15FN8O2/c20-17-7-14(27-10-15(30-19(27)29)9-26-6-5-23-25-26)2-3-16(17)13-1-4-18(22-8-13)28-12-21-11-24-28/h1-8,11-12,15H,9-10H2/t15-/m0/s1
InChIKeyFVRQLNIWHJZFJX-HNNXBMFYSA-N
XLogP2.09
TPSA103.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11269746) is (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-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-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(-n3cncn3)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FVRQLNIWHJZFJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15FN8O2/c20-17-7-14(27-10-15(30-19(27)29)9-26-6-5-23-25-26)2-3-16(17)13-1-4-18(22-8-13)28-12-21-11-24-28/h1-8,11-12,15H,9-10H2/t15-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 406.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11269746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).