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

C8H10F3NO — CID 59459038

IUPAC2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C8H10F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4H,1-3H3
InChIKeyHKEDOVHNHMFVBE-UHFFFAOYSA-N
MW193.17 g/mol
LogP3.13
Rot. Bonds1

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

2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 59459038) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID59459038
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C8H10F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4H,1-3H3
InChIKeyHKEDOVHNHMFVBE-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 59459038) is 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(C)C)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is HKEDOVHNHMFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h4H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 193.17 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 59459038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).