2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole

C8H10FNO — CID 138661280

IUPAC2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole
SMILESC=CCC(F)c1nc(C)co1
InChIInChI=1S/C8H10FNO/c1-3-4-7(9)8-10-6(2)5-11-8/h3,5,7H,1,4H2,2H3
InChIKeyKQHZIKGTPWPGCK-UHFFFAOYSA-N
MW155.17 g/mol
LogP2.57
Rot. Bonds3

About 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole

2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole (PubChem CID 138661280) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole
PubChem CID138661280
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole
SMILESC=CCC(F)c1nc(C)co1
InChIInChI=1S/C8H10FNO/c1-3-4-7(9)8-10-6(2)5-11-8/h3,5,7H,1,4H2,2H3
InChIKeyKQHZIKGTPWPGCK-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole (CID 138661280) is 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole is C=CCC(F)c1nc(C)co1.
What is the InChIKey of 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole?
The InChIKey is KQHZIKGTPWPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-3-4-7(9)8-10-6(2)5-11-8/h3,5,7H,1,4H2,2H3.
What are the key properties of 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole?
2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole has a molecular weight of 155.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobut-3-enyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 138661280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).