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

C12H10FNO — CID 91350985

IUPAC3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole
SMILESC=C(F)Cc1ccc(-c2ccon2)cc1
InChIInChI=1S/C12H10FNO/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-15-14-12/h2-7H,1,8H2
InChIKeyMCQIMPOKWOZTCD-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.37
Rot. Bonds3

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

3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole (PubChem CID 91350985) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole
PubChem CID91350985
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole
SMILESC=C(F)Cc1ccc(-c2ccon2)cc1
InChIInChI=1S/C12H10FNO/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-15-14-12/h2-7H,1,8H2
InChIKeyMCQIMPOKWOZTCD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole (CID 91350985) is 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole is C=C(F)Cc1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
The InChIKey is MCQIMPOKWOZTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-15-14-12/h2-7H,1,8H2.
What are the key properties of 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole?
3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole has a molecular weight of 203.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 91350985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).