5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C7H10F3NO — CID 138691689

IUPAC5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(C(F)(F)F)=NO1
InChIInChI=1S/C7H10F3NO/c1-4(2)5-3-6(11-12-5)7(8,9)10/h4-5H,3H2,1-2H3
InChIKeyGZURBANVIXDFOJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP2.35
Rot. Bonds1

About 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 138691689) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID138691689
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(C(F)(F)F)=NO1
InChIInChI=1S/C7H10F3NO/c1-4(2)5-3-6(11-12-5)7(8,9)10/h4-5H,3H2,1-2H3
InChIKeyGZURBANVIXDFOJ-UHFFFAOYSA-N
XLogP2.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 138691689) is 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CC(C)C1CC(C(F)(F)F)=NO1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is GZURBANVIXDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-4(2)5-3-6(11-12-5)7(8,9)10/h4-5H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 181.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 138691689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).