5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole

C8H8F3NO — CID 144946183

IUPAC5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESC=CC(C)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C8H8F3NO/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3
InChIKeySMGNIAPYOUBQRQ-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.98
Rot. Bonds2

About 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole

5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 144946183) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID144946183
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESC=CC(C)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C8H8F3NO/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3
InChIKeySMGNIAPYOUBQRQ-UHFFFAOYSA-N
XLogP2.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2-methyloxazole
CID 528407
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
2,5-Diethyloxazole
CID 3016237
1-(5-Ethyloxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 168474942
1-(5-Cyclopropyloxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 168474956
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-Cyclopropyl-2-propan-2-yl-1,3-oxazole
CID 135061563
Oxazole, 5-methyl-2-(trifluoromethyl)-
CID 15239221
2-[Chloro(fluoro)methyl]-5-propan-2-yl-1,3-oxazole
CID 18667983
2-Tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 56987972

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole (CID 144946183) is 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole is C=CC(C)c1cnc(C(F)(F)F)o1.
What is the InChIKey of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SMGNIAPYOUBQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-3-5(2)6-4-12-7(13-6)8(9,10)11/h3-5H,1H2,2H3.
What are the key properties of 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole?
5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 191.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 144946183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).