4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid

C13H16F3NO3 — CID 104842470

IUPAC4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCCCC2C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-2-9-10(12(18)19)20-11(17-9)7-5-3-4-6-8(7)13(14,15)16/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyAHIQTDCPTZCVHS-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.77
Rot. Bonds3

About 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid

4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 104842470) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
PubChem CID104842470
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCCCC2C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-2-9-10(12(18)19)20-11(17-9)7-5-3-4-6-8(7)13(14,15)16/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyAHIQTDCPTZCVHS-UHFFFAOYSA-N
XLogP3.77
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
CID 124597917
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
CID 113434005
4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
CID 114097257
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107003583
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
4-ethyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 104842572
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772
2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842413

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid (CID 104842470) is 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid is CCc1nc(C2CCCCC2C(F)(F)F)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is AHIQTDCPTZCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-2-9-10(12(18)19)20-11(17-9)7-5-3-4-6-8(7)13(14,15)16/h7-8H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).