5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole

C11H12F3N3O — CID 169163513

IUPAC5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole
SMILESCC(C)c1cnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C11H12F3N3O/c1-7(2)9-4-15-10(18-9)8-3-16-17(5-8)6-11(12,13)14/h3-5,7H,6H2,1-2H3
InChIKeyQZMXXRQGWQZWFL-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.22
Rot. Bonds3

About 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole

5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole (PubChem CID 169163513) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole
PubChem CID169163513
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole
SMILESCC(C)c1cnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C11H12F3N3O/c1-7(2)9-4-15-10(18-9)8-3-16-17(5-8)6-11(12,13)14/h3-5,7H,6H2,1-2H3
InChIKeyQZMXXRQGWQZWFL-UHFFFAOYSA-N
XLogP3.22
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole (CID 169163513) is 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole is CC(C)c1cnc(-c2cnn(CC(F)(F)F)c2)o1.
What is the InChIKey of 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole?
The InChIKey is QZMXXRQGWQZWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-7(2)9-4-15-10(18-9)8-3-16-17(5-8)6-11(12,13)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole?
5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole has a molecular weight of 259.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 169163513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).