4-(fluoromethyl)-1,3-oxazole

C4H4FNO — CID 118281859

IUPAC4-(fluoromethyl)-1,3-oxazole
SMILESFCc1cocn1
InChIInChI=1S/C4H4FNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKeyZOTVRNIOWMVLTJ-UHFFFAOYSA-N
MW101.08 g/mol
LogP1.14
Rot. Bonds1

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

4-(fluoromethyl)-1,3-oxazole (PubChem CID 118281859) has the molecular formula C4H4FNO and a molecular weight of 101.08 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-oxazole
PubChem CID118281859
Molecular FormulaC4H4FNO
Molecular Weight101.08 g/mol
Exact Mass101.03
IUPAC Name4-(fluoromethyl)-1,3-oxazole
SMILESFCc1cocn1
InChIInChI=1S/C4H4FNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKeyZOTVRNIOWMVLTJ-UHFFFAOYSA-N
XLogP1.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-1,3-oxazole (CID 118281859) is 4-(fluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-1,3-oxazole is FCc1cocn1.
What is the InChIKey of 4-(fluoromethyl)-1,3-oxazole?
The InChIKey is ZOTVRNIOWMVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO/c5-1-4-2-7-3-6-4/h2-3H,1H2.
What are the key properties of 4-(fluoromethyl)-1,3-oxazole?
4-(fluoromethyl)-1,3-oxazole has a molecular weight of 101.08 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-oxazole is sourced from PubChem (CID 118281859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).