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

C14H15FN2O2 — CID 118359973

IUPAC1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCc1noc(-c2cc(F)ccc2C(=O)C(C)(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8-16-13(19-17-8)11-7-9(15)5-6-10(11)12(18)14(2,3)4/h5-7H,1-4H3
InChIKeyXULRDDMJUMHCBT-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.41
Rot. Bonds2

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

1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 118359973) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID118359973
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCc1noc(-c2cc(F)ccc2C(=O)C(C)(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8-16-13(19-17-8)11-7-9(15)5-6-10(11)12(18)14(2,3)4/h5-7H,1-4H3
InChIKeyXULRDDMJUMHCBT-UHFFFAOYSA-N
XLogP3.41
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 170984863
[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 134503433
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814341
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 118361930
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
ethyl 5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379181

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one (CID 118359973) is 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one is Cc1noc(-c2cc(F)ccc2C(=O)C(C)(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is XULRDDMJUMHCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-16-13(19-17-8)11-7-9(15)5-6-10(11)12(18)14(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one?
1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 262.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 118359973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).