[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone

C23H19FN6O2 — CID 72703164

IUPAC[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H19FN6O2/c24-16-6-7-19(27-14-16)20-8-11-29(28-20)15-21-30(12-13-32-21)23(31)18-5-2-1-4-17(18)22-25-9-3-10-26-22/h1-11,14,21H,12-13,15H2
InChIKeyHLSJJFCXIUGENJ-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.04
Rot. Bonds5

About [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 72703164) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID72703164
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H19FN6O2/c24-16-6-7-19(27-14-16)20-8-11-29(28-20)15-21-30(12-13-32-21)23(31)18-5-2-1-4-17(18)22-25-9-3-10-26-22/h1-11,14,21H,12-13,15H2
InChIKeyHLSJJFCXIUGENJ-UHFFFAOYSA-N
XLogP3.04
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 72703164) is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone is O=C(c1ccccc1-c1ncccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is HLSJJFCXIUGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c24-16-6-7-19(27-14-16)20-8-11-29(28-20)15-21-30(12-13-32-21)23(31)18-5-2-1-4-17(18)22-25-9-3-10-26-22/h1-11,14,21H,12-13,15H2.
What are the key properties of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 430.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 72703164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).