4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one

C10H14F3NO2 — CID 54067138

IUPAC4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCCC1(CCC)N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C10H14F3NO2/c1-3-5-9(6-4-2)8(15)16-7(14-9)10(11,12)13/h3-6H2,1-2H3
InChIKeyMDTYYJXTJVZPLM-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.84
Rot. Bonds4

About 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one

4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one (PubChem CID 54067138) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one
PubChem CID54067138
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCCC1(CCC)N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C10H14F3NO2/c1-3-5-9(6-4-2)8(15)16-7(14-9)10(11,12)13/h3-6H2,1-2H3
InChIKeyMDTYYJXTJVZPLM-UHFFFAOYSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The IUPAC name of 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one (CID 54067138) is 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one is CCCC1(CCC)N=C(C(F)(F)F)OC1=O.
What is the InChIKey of 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The InChIKey is MDTYYJXTJVZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-3-5-9(6-4-2)8(15)16-7(14-9)10(11,12)13/h3-6H2,1-2H3.
What are the key properties of 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one has a molecular weight of 237.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipropyl-2-(trifluoromethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 54067138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).