1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone

C17H20FNO3 — CID 75468717

IUPAC1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OC(C)c2ncc(C(C)(C)C)o2)cc1F
InChIInChI=1S/C17H20FNO3/c1-10(20)13-7-6-12(8-14(13)18)21-11(2)16-19-9-15(22-16)17(3,4)5/h6-9,11H,1-5H3
InChIKeyGTQUCLZJMWXCCS-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone

1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone (PubChem CID 75468717) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone
PubChem CID75468717
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OC(C)c2ncc(C(C)(C)C)o2)cc1F
InChIInChI=1S/C17H20FNO3/c1-10(20)13-7-6-12(8-14(13)18)21-11(2)16-19-9-15(22-16)17(3,4)5/h6-9,11H,1-5H3
InChIKeyGTQUCLZJMWXCCS-UHFFFAOYSA-N
XLogP4.45
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethoxy]-2-fluorophenyl]ethanone
CID 95781661
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
1-[2-fluoro-4-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 104922117
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
CID 107714446
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113232754

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone (CID 75468717) is 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone is CC(=O)c1ccc(OC(C)c2ncc(C(C)(C)C)o2)cc1F.
What is the InChIKey of 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone?
The InChIKey is GTQUCLZJMWXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-10(20)13-7-6-12(8-14(13)18)21-11(2)16-19-9-15(22-16)17(3,4)5/h6-9,11H,1-5H3.
What are the key properties of 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone?
1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone has a molecular weight of 305.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 75468717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).