3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide

C14H20F3N3O3 — CID 136536432

IUPAC3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)C2CCN(CC(F)(F)F)CC2)on1
InChIInChI=1S/C14H20F3N3O3/c1-9(18-13(21)11-7-12(22-2)19-23-11)10-3-5-20(6-4-10)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyIJMYWXFKZDWCMS-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.08
Rot. Bonds5

About 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 136536432) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide
PubChem CID136536432
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)C2CCN(CC(F)(F)F)CC2)on1
InChIInChI=1S/C14H20F3N3O3/c1-9(18-13(21)11-7-12(22-2)19-23-11)10-3-5-20(6-4-10)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyIJMYWXFKZDWCMS-UHFFFAOYSA-N
XLogP2.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide (CID 136536432) is 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC(C)C2CCN(CC(F)(F)F)CC2)on1.
What is the InChIKey of 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IJMYWXFKZDWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-9(18-13(21)11-7-12(22-2)19-23-11)10-3-5-20(6-4-10)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21).
What are the key properties of 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 136536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).