2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone

C13H14FNO2 — CID 7471340

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(F)cc2)=N1
InChIInChI=1S/C13H14FNO2/c1-13(2)8-17-12(15-13)7-11(16)9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyPRCHXMGRLCBTKB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.61
Rot. Bonds3

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 7471340) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID7471340
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(F)cc2)=N1
InChIInChI=1S/C13H14FNO2/c1-13(2)8-17-12(15-13)7-11(16)9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyPRCHXMGRLCBTKB-UHFFFAOYSA-N
XLogP2.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone (CID 7471340) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone is CC1(C)COC(CC(=O)c2ccc(F)cc2)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is PRCHXMGRLCBTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-13(2)8-17-12(15-13)7-11(16)9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 235.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 7471340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).