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

C8H8F3NO — CID 148800021

IUPAC2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESC=C(C)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h1H2,2-3H3
InChIKeyONVMWXJQUWNZHZ-UHFFFAOYSA-N
MW191.15 g/mol
LogP3.03
Rot. Bonds1

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

2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 148800021) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID148800021
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESC=C(C)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h1H2,2-3H3
InChIKeyONVMWXJQUWNZHZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 148800021) is 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole is C=C(C)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is ONVMWXJQUWNZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4(2)6-7(8(9,10)11)13-5(3)12-6/h1H2,2-3H3.
What are the key properties of 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole?
2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 191.15 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 148800021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).