[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

C15H14F3NO4 — CID 166242568

IUPAC[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)OCc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C15H14F3NO4/c1-21-13-8-11(23-19-13)6-7-14(20)22-9-10-4-2-3-5-12(10)15(16,17)18/h2-5,8H,6-7,9H2,1H3
InChIKeyUPQNOKSRXORWMN-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.38
Rot. Bonds6

About [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (PubChem CID 166242568) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
PubChem CID166242568
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)OCc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C15H14F3NO4/c1-21-13-8-11(23-19-13)6-7-14(20)22-9-10-4-2-3-5-12(10)15(16,17)18/h2-5,8H,6-7,9H2,1H3
InChIKeyUPQNOKSRXORWMN-UHFFFAOYSA-N
XLogP3.38
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420566
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 25494057
(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55445109
[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780512
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
methyl 3-[2-amino-3-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 154593389
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (CID 166242568) is [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is COc1cc(CCC(=O)OCc2ccccc2C(F)(F)F)on1.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The InChIKey is UPQNOKSRXORWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c1-21-13-8-11(23-19-13)6-7-14(20)22-9-10-4-2-3-5-12(10)15(16,17)18/h2-5,8H,6-7,9H2,1H3.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate has a molecular weight of 329.27 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 166242568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).