(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C17H14FN5O2 — CID 23626128

IUPAC(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1
InChIKeyURZMJARQWGKHCG-AWEZNQCLSA-N
MW339.33 g/mol
LogP2.50
Rot. Bonds4

About (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626128) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626128
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1
InChIKeyURZMJARQWGKHCG-AWEZNQCLSA-N
XLogP2.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626128) is (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cccnc2)c(F)c1.
What is the InChIKey of (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is URZMJARQWGKHCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1.
What are the key properties of (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 339.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).