5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole

C10H10F3N3O — CID 169164493

IUPAC5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCCc1oc(-c2ccn(C)n2)nc1C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c1-3-7-8(10(11,12)13)14-9(17-7)6-4-5-16(2)15-6/h4-5H,3H2,1-2H3
InChIKeyDCUYEIQEHFPCNN-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.66
Rot. Bonds2

About 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole

5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 169164493) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID169164493
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCCc1oc(-c2ccn(C)n2)nc1C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c1-3-7-8(10(11,12)13)14-9(17-7)6-4-5-16(2)15-6/h4-5H,3H2,1-2H3
InChIKeyDCUYEIQEHFPCNN-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole (CID 169164493) is 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole is CCc1oc(-c2ccn(C)n2)nc1C(F)(F)F.
What is the InChIKey of 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is DCUYEIQEHFPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-7-8(10(11,12)13)14-9(17-7)6-4-5-16(2)15-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 245.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 169164493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).