2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H16FNO — CID 45095421

IUPAC2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccc(C2=NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C13H16FNO/c1-4-9-5-6-10(11(14)7-9)12-15-13(2,3)8-16-12/h5-7H,4,8H2,1-3H3
InChIKeyJASXAUPSIJBHLO-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 45095421) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID45095421
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccc(C2=NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C13H16FNO/c1-4-9-5-6-10(11(14)7-9)12-15-13(2,3)8-16-12/h5-7H,4,8H2,1-3H3
InChIKeyJASXAUPSIJBHLO-UHFFFAOYSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 45095421) is 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CCc1ccc(C2=NC(C)(C)CO2)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JASXAUPSIJBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-4-9-5-6-10(11(14)7-9)12-15-13(2,3)8-16-12/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 221.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 45095421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).