2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole

C12H11F2NO — CID 126707765

IUPAC2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole
SMILESFC(F)C1(/C=C/c2ccccc2)NC=CO1
InChIInChI=1S/C12H11F2NO/c13-11(14)12(15-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9,11,15H/b7-6+
InChIKeyFNJLOVIZMBCQPH-VOTSOKGWSA-N
MW223.22 g/mol
LogP2.75
Rot. Bonds3

About 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole

2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole (PubChem CID 126707765) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole
PubChem CID126707765
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole
SMILESFC(F)C1(/C=C/c2ccccc2)NC=CO1
InChIInChI=1S/C12H11F2NO/c13-11(14)12(15-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9,11,15H/b7-6+
InChIKeyFNJLOVIZMBCQPH-VOTSOKGWSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-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 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole (CID 126707765) is 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole is FC(F)C1(/C=C/c2ccccc2)NC=CO1.
What is the InChIKey of 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole?
The InChIKey is FNJLOVIZMBCQPH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-11(14)12(15-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9,11,15H/b7-6+.
What are the key properties of 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole?
2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole has a molecular weight of 223.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-[(E)-2-phenylethenyl]-3H-1,3-oxazole is sourced from PubChem (CID 126707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).