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

C10H14F3NO — CID 58428465

IUPAC2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H14F3NO/c1-5(2)7-8(10(11,12)13)15-9(14-7)6(3)4/h5-6H,1-4H3
InChIKeyHXUBISFIDPWFFX-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.94
Rot. Bonds2

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

2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 58428465) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
PubChem CID58428465
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H14F3NO/c1-5(2)7-8(10(11,12)13)15-9(14-7)6(3)4/h5-6H,1-4H3
InChIKeyHXUBISFIDPWFFX-UHFFFAOYSA-N
XLogP3.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole (CID 58428465) is 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole is CC(C)c1nc(C(C)C)c(C(F)(F)F)o1.
What is the InChIKey of 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is HXUBISFIDPWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-5(2)7-8(10(11,12)13)15-9(14-7)6(3)4/h5-6H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole?
2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 221.22 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 58428465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).