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

C22H24FN7O2 — CID 25105499

IUPAC(5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccccn3)CC2)c(F)c1
InChIInChI=1S/C22H24FN7O2/c23-20-13-18(30-16-19(32-22(30)31)15-29-8-7-25-26-29)4-5-21(20)28-11-9-27(10-12-28)14-17-3-1-2-6-24-17/h1-8,13,19H,9-12,14-16H2/t19-/m0/s1
InChIKeyJSKCFDXOOQTXCW-IBGZPJMESA-N
MW437.48 g/mol
LogP2.16
Rot. Bonds6

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

(5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 25105499) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID25105499
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name(5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccccn3)CC2)c(F)c1
InChIInChI=1S/C22H24FN7O2/c23-20-13-18(30-16-19(32-22(30)31)15-29-8-7-25-26-29)4-5-21(20)28-11-9-27(10-12-28)14-17-3-1-2-6-24-17/h1-8,13,19H,9-12,14-16H2/t19-/m0/s1
InChIKeyJSKCFDXOOQTXCW-IBGZPJMESA-N
XLogP2.16
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 25105499) is (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccccn3)CC2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JSKCFDXOOQTXCW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24FN7O2/c23-20-13-18(30-16-19(32-22(30)31)15-29-8-7-25-26-29)4-5-21(20)28-11-9-27(10-12-28)14-17-3-1-2-6-24-17/h1-8,13,19H,9-12,14-16H2/t19-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 2.16, 6 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-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25105499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).