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

C11H12F3NO3 — CID 58374072

IUPAC5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-8(10(16)17)15-18-9(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17)
InChIKeyPPQZCUGXYCCQFI-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.44
Rot. Bonds2

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

5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 58374072) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID58374072
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-8(10(16)17)15-18-9(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17)
InChIKeyPPQZCUGXYCCQFI-UHFFFAOYSA-N
XLogP3.44
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 2978334
5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 3160254
4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 820561
5-Cyclohexyl-1,2-oxazole-3-carboxylic acid
CID 21445302
5-Ethyl-4-methyl-3-isoxazolecarboxylic acid
CID 25219329
4H,5H,6H,7H,8H-cyclohepta(d)(1,2)oxazole-3-carboxylic acid
CID 7017673
4-Methyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 53422581
5-Ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 80461625
5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 80461951
5-Cyclobutyl-1,2-oxazole-3-carboxylic acid
CID 82413973
5-Cyclopropyl-4-methyl-1,2-oxazole-3-carboxylic acid
CID 80461701
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanol
CID 155820023

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 58374072) is 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(C2CCCCC2)c1C(F)(F)F.
What is the InChIKey of 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PPQZCUGXYCCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)7-8(10(16)17)15-18-9(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17).
What are the key properties of 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 58374072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).