5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole

C13H13F3N2O3S2 — CID 45106725

IUPAC5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2
InChIKeyBPMVFMXAWWHKDH-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.60
Rot. Bonds3

About 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole

5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 45106725) has the molecular formula C13H13F3N2O3S2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID45106725
Molecular FormulaC13H13F3N2O3S2
Molecular Weight366.39 g/mol
Exact Mass366.03
IUPAC Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2
InChIKeyBPMVFMXAWWHKDH-UHFFFAOYSA-N
XLogP3.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole (CID 45106725) is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCCCC1.
What is the InChIKey of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is BPMVFMXAWWHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-8-9(21-17-11)10-4-5-12(22-10)23(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole?
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 366.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 45106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).