4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole

C16H14FNO — CID 11097158

IUPAC4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole
SMILESCN1CC(c2ccc(F)cc2)=C(c2ccccc2)O1
InChIInChI=1S/C16H14FNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyNUXLODDWUMTCBS-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.57
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole

4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole (PubChem CID 11097158) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole
PubChem CID11097158
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole
SMILESCN1CC(c2ccc(F)cc2)=C(c2ccccc2)O1
InChIInChI=1S/C16H14FNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyNUXLODDWUMTCBS-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-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 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole (CID 11097158) is 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole is CN1CC(c2ccc(F)cc2)=C(c2ccccc2)O1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole?
The InChIKey is NUXLODDWUMTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole?
4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 11097158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).