3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole

C6H6F3NO — CID 45099280

IUPAC3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1noc(C(F)(F)F)c1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3
InChIKeySNGZSNSIVNMYLY-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.31
Rot. Bonds

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

3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 45099280) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole
PubChem CID45099280
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1noc(C(F)(F)F)c1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3
InChIKeySNGZSNSIVNMYLY-UHFFFAOYSA-N
XLogP2.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole (CID 45099280) is 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole is Cc1noc(C(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is SNGZSNSIVNMYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3.
What are the key properties of 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole?
3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 165.11 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 45099280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).