4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine

C11H15F3N2O — CID 104622303

IUPAC4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine
SMILESCc1c(C2CCCCC2C(F)(F)F)noc1N
InChIInChI=1S/C11H15F3N2O/c1-6-9(16-17-10(6)15)7-4-2-3-5-8(7)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyYDTRYFCGADOLQY-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.40
Rot. Bonds1

About 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine

4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine (PubChem CID 104622303) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine
PubChem CID104622303
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine
SMILESCc1c(C2CCCCC2C(F)(F)F)noc1N
InChIInChI=1S/C11H15F3N2O/c1-6-9(16-17-10(6)15)7-4-2-3-5-8(7)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyYDTRYFCGADOLQY-UHFFFAOYSA-N
XLogP3.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine (CID 104622303) is 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine is Cc1c(C2CCCCC2C(F)(F)F)noc1N.
What is the InChIKey of 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine?
The InChIKey is YDTRYFCGADOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-6-9(16-17-10(6)15)7-4-2-3-5-8(7)11(12,13)14/h7-8H,2-5,15H2,1H3.
What are the key properties of 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine?
4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine has a molecular weight of 248.25 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 104622303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).