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

C23H25FN6O4 — CID 11597959

IUPAC(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CN3CCOCC3)nc2)c(F)c1
InChIInChI=1S/C23H25FN6O4/c24-20-11-17(30-14-18(34-23(30)32)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)22(31)15-28-7-9-33-10-8-28/h1-6,11-12,18,22,31H,7-10,13-15H2/t18-,22?/m0/s1
InChIKeyRAGWPQFFUXAZND-HXBUSHRASA-N
MW468.49 g/mol
LogP1.87
Rot. Bonds7

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

(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11597959) has the molecular formula C23H25FN6O4 and a molecular weight of 468.49 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11597959
Molecular FormulaC23H25FN6O4
Molecular Weight468.49 g/mol
Exact Mass468.19
IUPAC Name(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CN3CCOCC3)nc2)c(F)c1
InChIInChI=1S/C23H25FN6O4/c24-20-11-17(30-14-18(34-23(30)32)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)22(31)15-28-7-9-33-10-8-28/h1-6,11-12,18,22,31H,7-10,13-15H2/t18-,22?/m0/s1
InChIKeyRAGWPQFFUXAZND-HXBUSHRASA-N
XLogP1.87
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11597959) is (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-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-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CN3CCOCC3)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RAGWPQFFUXAZND-HXBUSHRASA-N. The full InChI is InChI=1S/C23H25FN6O4/c24-20-11-17(30-14-18(34-23(30)32)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)22(31)15-28-7-9-33-10-8-28/h1-6,11-12,18,22,31H,7-10,13-15H2/t18-,22?/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 468.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11597959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).