1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

C12H10FNO2 — CID 67420541

IUPAC1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)noc1C
InChIInChI=1S/C12H10FNO2/c1-7(15)11-8(2)16-14-12(11)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChIKeyMAYUSQLZXUSYCV-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.99
Rot. Bonds2

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

1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone (PubChem CID 67420541) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
PubChem CID67420541
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)noc1C
InChIInChI=1S/C12H10FNO2/c1-7(15)11-8(2)16-14-12(11)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChIKeyMAYUSQLZXUSYCV-UHFFFAOYSA-N
XLogP2.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
CID 174666192
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 66575828
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 151214922
5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 131954829
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 118361930

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone (CID 67420541) is 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone is CC(=O)c1c(-c2ccccc2F)noc1C.
What is the InChIKey of 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The InChIKey is MAYUSQLZXUSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7(15)11-8(2)16-14-12(11)9-5-3-4-6-10(9)13/h3-6H,1-2H3.
What are the key properties of 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone has a molecular weight of 219.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 67420541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).