1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one

C12H11FN2O2 — CID 122632912

IUPAC1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(F)c1-c1noc(C)n1
InChIInChI=1S/C12H11FN2O2/c1-3-10(16)8-5-4-6-9(13)11(8)12-14-7(2)17-15-12/h4-6H,3H2,1-2H3
InChIKeyUMEJWVNOOZPRNC-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.78
Rot. Bonds3

About 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one

1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one (PubChem CID 122632912) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
PubChem CID122632912
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(F)c1-c1noc(C)n1
InChIInChI=1S/C12H11FN2O2/c1-3-10(16)8-5-4-6-9(13)11(8)12-14-7(2)17-15-12/h4-6H,3H2,1-2H3
InChIKeyUMEJWVNOOZPRNC-UHFFFAOYSA-N
XLogP2.78
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole
CID 144872021
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106400559
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The IUPAC name of 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one (CID 122632912) is 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one is CCC(=O)c1cccc(F)c1-c1noc(C)n1.
What is the InChIKey of 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The InChIKey is UMEJWVNOOZPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-3-10(16)8-5-4-6-9(13)11(8)12-14-7(2)17-15-12/h4-6H,3H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one has a molecular weight of 234.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 122632912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).