2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C13H10F3NO3 — CID 103199331

IUPAC2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,19)
InChIKeyFVCUVBSZFRRZLP-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199331) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199331
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,19)
InChIKeyFVCUVBSZFRRZLP-UHFFFAOYSA-N
XLogP3.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428649
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103213460
2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103213461
2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373150
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxylic acid
CID 114373081
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
6-(2-phenylethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 68854365
2-[2-(4-methylphenyl)ethyl]-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373559
2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199410
2-(3-phenylpropyl)-1,3-benzoxazole-4-carboxylic acid
CID 81339820
2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953949
4-tert-butyl-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylic acid
CID 114372698

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199331) is 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(CCc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is FVCUVBSZFRRZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,19).
What are the key properties of 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).