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

C5H3F4NO — CID 45099348

IUPAC4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1onc(C(F)(F)F)c1F
InChIInChI=1S/C5H3F4NO/c1-2-3(6)4(10-11-2)5(7,8)9/h1H3
InChIKeyHCWDXJCFSOKXDP-UHFFFAOYSA-N
MW169.08 g/mol
LogP2.14
Rot. Bonds

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

4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 45099348) has the molecular formula C5H3F4NO and a molecular weight of 169.08 g/mol. Its IUPAC name is 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID45099348
Molecular FormulaC5H3F4NO
Molecular Weight169.08 g/mol
Exact Mass169.02
IUPAC Name4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1onc(C(F)(F)F)c1F
InChIInChI=1S/C5H3F4NO/c1-2-3(6)4(10-11-2)5(7,8)9/h1H3
InChIKeyHCWDXJCFSOKXDP-UHFFFAOYSA-N
XLogP2.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
4-Iodo-3,5-dimethyl-1,2-oxazole
CID 613883
3,5-Dimethylisoxazole-4-boronic acid
CID 2734346
3,5-Dimethyl-4-(tributylstannyl)isoxazole
CID 15062215
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
5-(Difluoromethyl)-3,4-dimethyl-1,2-oxazole
CID 90397373
Potassium 3,5-dimethylisoxazole-4-yltrifluoroborate
CID 25212879
5-Methyl-3-(trifluoromethyl)isoxazole
CID 4737066
4-Bromomethyl-5-methyl-3-trifluoromethylisoxazole
CID 17862885
4-Ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
CID 18735152
5-(Difluoromethyl)-3-prop-1-ynyl-1,2-oxazole
CID 19921852
3-(Difluoromethyl)-5-methyl-1,2-oxazole
CID 20691948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole (CID 45099348) is 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole is Cc1onc(C(F)(F)F)c1F.
What is the InChIKey of 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is HCWDXJCFSOKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4NO/c1-2-3(6)4(10-11-2)5(7,8)9/h1H3.
What are the key properties of 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 169.08 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 45099348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).