2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole

C12H12FNO — CID 146379712

IUPAC2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNO/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyREIFWCLDXZRHSK-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole

2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole (PubChem CID 146379712) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
PubChem CID146379712
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNO/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyREIFWCLDXZRHSK-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole (CID 146379712) is 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole?
The InChIKey is REIFWCLDXZRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole?
2-(4-fluorophenyl)-4-propan-2-yl-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 2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 146379712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).