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

C18H16FN5O3 — CID 23626439

IUPAC(5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO)nc2)c(F)c1
InChIInChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1
InChIKeyWOCKQPIYHQRKEQ-HNNXBMFYSA-N
MW369.36 g/mol
LogP2.00
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626439) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626439
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name(5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO)nc2)c(F)c1
InChIInChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1
InChIKeyWOCKQPIYHQRKEQ-HNNXBMFYSA-N
XLogP2.00
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.00
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-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626439) is (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WOCKQPIYHQRKEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 369.36 g/mol, XLogP of 2.00, 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-(hydroxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).