3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

C18H14FN5O2 — CID 142622713

IUPAC3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESCOc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDZNJXWBAINLJAF-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.19
Rot. Bonds5

About 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 142622713) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
PubChem CID142622713
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESCOc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDZNJXWBAINLJAF-UHFFFAOYSA-N
XLogP3.19
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole 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 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (CID 142622713) is 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is COc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F.
What is the InChIKey of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is DZNJXWBAINLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 351.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 142622713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).