3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide

C13H17F3N2O2 — CID 47020667

IUPAC3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-7-11(8(2)20-18-7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyOAWMAINLIPEAEJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.14
Rot. Bonds2

About 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide (PubChem CID 47020667) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
PubChem CID47020667
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-7-11(8(2)20-18-7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyOAWMAINLIPEAEJ-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide (CID 47020667) is 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OAWMAINLIPEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-7-11(8(2)20-18-7)12(19)17-10-6-4-3-5-9(10)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47020667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).