4-(fluoromethyl)-5-methyl-1,3-oxazole

C5H6FNO — CID 169167297

IUPAC4-(fluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1CF
InChIInChI=1S/C5H6FNO/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3
InChIKeyVYJAJGYDVUQXCL-UHFFFAOYSA-N
MW115.11 g/mol
LogP1.45
Rot. Bonds1

About 4-(fluoromethyl)-5-methyl-1,3-oxazole

4-(fluoromethyl)-5-methyl-1,3-oxazole (PubChem CID 169167297) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-methyl-1,3-oxazole
PubChem CID169167297
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name4-(fluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1CF
InChIInChI=1S/C5H6FNO/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3
InChIKeyVYJAJGYDVUQXCL-UHFFFAOYSA-N
XLogP1.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-5-methyl-1,3-oxazole (CID 169167297) is 4-(fluoromethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-5-methyl-1,3-oxazole is Cc1ocnc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-methyl-1,3-oxazole?
The InChIKey is VYJAJGYDVUQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-methyl-1,3-oxazole?
4-(fluoromethyl)-5-methyl-1,3-oxazole has a molecular weight of 115.11 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 169167297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).