3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole

C14H12FN3O — CID 141336681

IUPAC3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN3O/c1-10-8-14(13-6-7-19-17-13)18(16-10)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyGZQPSKFATJTHDX-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.03
Rot. Bonds3

About 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole

3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole (PubChem CID 141336681) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole
PubChem CID141336681
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN3O/c1-10-8-14(13-6-7-19-17-13)18(16-10)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyGZQPSKFATJTHDX-UHFFFAOYSA-N
XLogP3.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole (CID 141336681) is 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole is Cc1cc(-c2ccon2)n(Cc2ccccc2F)n1.
What is the InChIKey of 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole?
The InChIKey is GZQPSKFATJTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-10-8-14(13-6-7-19-17-13)18(16-10)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3.
What are the key properties of 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole?
3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole has a molecular weight of 257.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141336681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).