3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole

C14H10F3N3O — CID 86684877

IUPAC3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCn1nccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C14H10F3N3O/c1-20-12(6-7-18-20)11-8-13(21-19-11)9-2-4-10(5-3-9)14(15,16)17/h2-8H,1H3
InChIKeyUDQOTNZJUITOCE-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.76
Rot. Bonds2

About 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole

3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 86684877) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID86684877
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCn1nccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C14H10F3N3O/c1-20-12(6-7-18-20)11-8-13(21-19-11)9-2-4-10(5-3-9)14(15,16)17/h2-8H,1H3
InChIKeyUDQOTNZJUITOCE-UHFFFAOYSA-N
XLogP3.76
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 86684877) is 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is Cn1nccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is UDQOTNZJUITOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-20-12(6-7-18-20)11-8-13(21-19-11)9-2-4-10(5-3-9)14(15,16)17/h2-8H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 293.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 86684877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).