3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole

C16H18F3N3O4S — CID 71798795

IUPAC3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N3O4S/c1-10-15(11(2)26-21-10)27(23,24)22-7-5-13(6-8-22)25-14-4-3-12(9-20-14)16(17,18)19/h3-4,9,13H,5-8H2,1-2H3
InChIKeySNBDUEWHZUZJCC-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.94
Rot. Bonds4

About 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 71798795) has the molecular formula C16H18F3N3O4S and a molecular weight of 405.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID71798795
Molecular FormulaC16H18F3N3O4S
Molecular Weight405.40 g/mol
Exact Mass405.10
IUPAC Name3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N3O4S/c1-10-15(11(2)26-21-10)27(23,24)22-7-5-13(6-8-22)25-14-4-3-12(9-20-14)16(17,18)19/h3-4,9,13H,5-8H2,1-2H3
InChIKeySNBDUEWHZUZJCC-UHFFFAOYSA-N
XLogP2.94
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole (CID 71798795) is 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is SNBDUEWHZUZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S/c1-10-15(11(2)26-21-10)27(23,24)22-7-5-13(6-8-22)25-14-4-3-12(9-20-14)16(17,18)19/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 405.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 71798795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).