3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole

C12H10FNO — CID 91268524

IUPAC3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole
SMILESC=CC(F)c1ccc(-c2ccon2)cc1
InChIInChI=1S/C12H10FNO/c1-2-11(13)9-3-5-10(6-4-9)12-7-8-15-14-12/h2-8,11H,1H2
InChIKeyYMEBTISEUKCZLO-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.54
Rot. Bonds3

About 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole

3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole (PubChem CID 91268524) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole
PubChem CID91268524
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole
SMILESC=CC(F)c1ccc(-c2ccon2)cc1
InChIInChI=1S/C12H10FNO/c1-2-11(13)9-3-5-10(6-4-9)12-7-8-15-14-12/h2-8,11H,1H2
InChIKeyYMEBTISEUKCZLO-UHFFFAOYSA-N
XLogP3.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.54
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 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole (CID 91268524) is 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole is C=CC(F)c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The InChIKey is YMEBTISEUKCZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-2-11(13)9-3-5-10(6-4-9)12-7-8-15-14-12/h2-8,11H,1H2.
What are the key properties of 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole has a molecular weight of 203.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-fluoroprop-2-enyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 91268524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).