4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole

C10H10F3N3O — CID 113229069

IUPAC4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(Cn2ccc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C10H10F3N3O/c1-6-7(2)17-9(14-6)5-16-4-3-8(15-16)10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyAKFQQEILDGJRKZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.56
Rot. Bonds2

About 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole

4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole (PubChem CID 113229069) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole
PubChem CID113229069
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(Cn2ccc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C10H10F3N3O/c1-6-7(2)17-9(14-6)5-16-4-3-8(15-16)10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyAKFQQEILDGJRKZ-UHFFFAOYSA-N
XLogP2.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole (CID 113229069) is 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole is Cc1nc(Cn2ccc(C(F)(F)F)n2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is AKFQQEILDGJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-6-7(2)17-9(14-6)5-16-4-3-8(15-16)10(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 245.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 113229069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).