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

C12H15F3N2O3 — CID 136530267

IUPAC3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)on1
InChIInChI=1S/C12H15F3N2O3/c1-19-10-6-9(20-17-10)11(18)16-8-4-2-3-7(5-8)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyYSWPRNRLVDYDRL-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.53
Rot. Bonds3

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

3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 136530267) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID136530267
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)on1
InChIInChI=1S/C12H15F3N2O3/c1-19-10-6-9(20-17-10)11(18)16-8-4-2-3-7(5-8)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyYSWPRNRLVDYDRL-UHFFFAOYSA-N
XLogP2.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 136530267) is 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)on1.
What is the InChIKey of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YSWPRNRLVDYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-10-6-9(20-17-10)11(18)16-8-4-2-3-7(5-8)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,18).
What are the key properties of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 136530267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).