(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C18H14FN7O2 — CID 58239287

IUPAC(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1
InChIInChI=1S/C18H14FN7O2/c19-16-8-13(25-10-14(28-18(25)27)9-24-6-4-21-23-24)1-2-15(16)12-3-5-26-17(7-12)20-11-22-26/h1-8,11,14H,9-10H2/t14-/m0/s1
InChIKeyYQZRXRDKNNOEBQ-AWEZNQCLSA-N
MW379.36 g/mol
LogP2.15
Rot. Bonds4

About (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58239287) has the molecular formula C18H14FN7O2 and a molecular weight of 379.36 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58239287
Molecular FormulaC18H14FN7O2
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1
InChIInChI=1S/C18H14FN7O2/c19-16-8-13(25-10-14(28-18(25)27)9-24-6-4-21-23-24)1-2-15(16)12-3-5-26-17(7-12)20-11-22-26/h1-8,11,14H,9-10H2/t14-/m0/s1
InChIKeyYQZRXRDKNNOEBQ-AWEZNQCLSA-N
XLogP2.15
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58239287) is (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YQZRXRDKNNOEBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14FN7O2/c19-16-8-13(25-10-14(28-18(25)27)9-24-6-4-21-23-24)1-2-15(16)12-3-5-26-17(7-12)20-11-22-26/h1-8,11,14H,9-10H2/t14-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 379.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58239287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).