4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole

C12H12FNO — CID 58834763

IUPAC4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1cc(-c2cocn2)ccc1F
InChIInChI=1S/C12H12FNO/c1-8(2)10-5-9(3-4-11(10)13)12-6-15-7-14-12/h3-8H,1-2H3
InChIKeyWQTKXINDDQCYBY-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.60
Rot. Bonds2

About 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole

4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 58834763) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole
PubChem CID58834763
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1cc(-c2cocn2)ccc1F
InChIInChI=1S/C12H12FNO/c1-8(2)10-5-9(3-4-11(10)13)12-6-15-7-14-12/h3-8H,1-2H3
InChIKeyWQTKXINDDQCYBY-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluoro-3-propan-2-ylphenyl)-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 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole (CID 58834763) is 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole is CC(C)c1cc(-c2cocn2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is WQTKXINDDQCYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(2)10-5-9(3-4-11(10)13)12-6-15-7-14-12/h3-8H,1-2H3.
What are the key properties of 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole?
4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole has a molecular weight of 205.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58834763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).