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

C21H18FN7O2 — CID 72703161

IUPAC[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C21H18FN7O2/c22-15-5-6-17(23-13-15)18-7-10-27(26-18)14-20-28(11-12-31-20)21(30)16-3-1-2-4-19(16)29-24-8-9-25-29/h1-10,13,20H,11-12,14H2
InChIKeyRJEDZMXVJSJGGM-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.16
Rot. Bonds5

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

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 72703161) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID72703161
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C21H18FN7O2/c22-15-5-6-17(23-13-15)18-7-10-27(26-18)14-20-28(11-12-31-20)21(30)16-3-1-2-4-19(16)29-24-8-9-25-29/h1-10,13,20H,11-12,14H2
InChIKeyRJEDZMXVJSJGGM-UHFFFAOYSA-N
XLogP2.16
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 72703161) is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)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-(triazol-2-yl)phenyl]methanone?
The InChIKey is RJEDZMXVJSJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c22-15-5-6-17(23-13-15)18-7-10-27(26-18)14-20-28(11-12-31-20)21(30)16-3-1-2-4-19(16)29-24-8-9-25-29/h1-10,13,20H,11-12,14H2.
What are the key properties of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 419.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 72703161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).