1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one

C14H12F3NO2 — CID 115083905

IUPAC1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H12F3NO2/c1-9(19)6-11-8-20-13(18-11)7-10-4-2-3-5-12(10)14(15,16)17/h2-5,8H,6-7H2,1H3
InChIKeyDMZRSXIBIWMXPO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one

1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115083905) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one
PubChem CID115083905
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H12F3NO2/c1-9(19)6-11-8-20-13(18-11)7-10-4-2-3-5-12(10)14(15,16)17/h2-5,8H,6-7H2,1H3
InChIKeyDMZRSXIBIWMXPO-UHFFFAOYSA-N
XLogP3.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083960
2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084012
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086873
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
N-methyl-2-[5-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078988
1-[4-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-one
CID 117194219
N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one (CID 115083905) is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one is CC(=O)Cc1coc(Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is DMZRSXIBIWMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9(19)6-11-8-20-13(18-11)7-10-4-2-3-5-12(10)14(15,16)17/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one?
1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115083905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).