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

C6H8FNO — CID 89058861

IUPAC4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(CF)c(C)o1
InChIInChI=1S/C6H8FNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKeyONCPTOCCQNBINK-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.76
Rot. Bonds1

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

4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 89058861) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole
PubChem CID89058861
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(CF)c(C)o1
InChIInChI=1S/C6H8FNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKeyONCPTOCCQNBINK-UHFFFAOYSA-N
XLogP1.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole (CID 89058861) is 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole is Cc1nc(CF)c(C)o1.
What is the InChIKey of 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is ONCPTOCCQNBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole?
4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 89058861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).