1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone

C12H10FNO3 — CID 82129338

IUPAC1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1ccc(F)cc1-c1cc(C(C)=O)no1
InChIInChI=1S/C12H10FNO3/c1-7(15)10-6-12(17-14-10)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3
InChIKeyLFUZIXKRZYQDCU-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.69
Rot. Bonds3

About 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone

1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 82129338) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID82129338
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1ccc(F)cc1-c1cc(C(C)=O)no1
InChIInChI=1S/C12H10FNO3/c1-7(15)10-6-12(17-14-10)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3
InChIKeyLFUZIXKRZYQDCU-UHFFFAOYSA-N
XLogP2.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 82128630
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone (CID 82129338) is 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone is COc1ccc(F)cc1-c1cc(C(C)=O)no1.
What is the InChIKey of 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is LFUZIXKRZYQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-7(15)10-6-12(17-14-10)9-5-8(13)3-4-11(9)16-2/h3-6H,1-2H3.
What are the key properties of 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone?
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 235.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 82129338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).