(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

C16H17F3N2O3S — CID 25211191

IUPAC(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1
InChIInChI=1S/C16H17F3N2O3S/c1-9-13(20-24-14(9)16(17,18)19)11-3-4-12(25-11)15(22)21-7-5-10(23-2)6-8-21/h3-4,10H,5-8H2,1-2H3
InChIKeyOYSGFEHIKSJOIS-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.98
Rot. Bonds3

About (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (PubChem CID 25211191) has the molecular formula C16H17F3N2O3S and a molecular weight of 374.38 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
PubChem CID25211191
Molecular FormulaC16H17F3N2O3S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC Name(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1
InChIInChI=1S/C16H17F3N2O3S/c1-9-13(20-24-14(9)16(17,18)19)11-3-4-12(25-11)15(22)21-7-5-10(23-2)6-8-21/h3-4,10H,5-8H2,1-2H3
InChIKeyOYSGFEHIKSJOIS-UHFFFAOYSA-N
XLogP3.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (CID 25211191) is (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is COC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is OYSGFEHIKSJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S/c1-9-13(20-24-14(9)16(17,18)19)11-3-4-12(25-11)15(22)21-7-5-10(23-2)6-8-21/h3-4,10H,5-8H2,1-2H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 374.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 25211191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).