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

C6H8FNO — CID 118085995

IUPAC5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(CF)o1
InChIInChI=1S/C6H8FNO/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3
InChIKeyDSVQVSKRPFXSBK-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.76
Rot. Bonds1

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

5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole (PubChem CID 118085995) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole
PubChem CID118085995
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(CF)o1
InChIInChI=1S/C6H8FNO/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3
InChIKeyDSVQVSKRPFXSBK-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 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole (CID 118085995) is 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(CF)o1.
What is the InChIKey of 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole?
The InChIKey is DSVQVSKRPFXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3.
What are the key properties of 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole?
5-(fluoromethyl)-2,4-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 5-(fluoromethyl)-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 118085995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).