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

C16H13F3N4O3S — CID 71792978

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-5-23(6-4-9)14(24)10-8-11(26-22-10)12-2-1-7-27-12/h1-2,7-9H,3-6H2
InChIKeyLFOXRMUUMJVIEV-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.82
Rot. Bonds3

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71792978) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71792978
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-5-23(6-4-9)14(24)10-8-11(26-22-10)12-2-1-7-27-12/h1-2,7-9H,3-6H2
InChIKeyLFOXRMUUMJVIEV-UHFFFAOYSA-N
XLogP3.82
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 71792978) is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)on1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LFOXRMUUMJVIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c17-16(18,19)15-21-20-13(25-15)9-3-5-23(6-4-9)14(24)10-8-11(26-22-10)12-2-1-7-27-12/h1-2,7-9H,3-6H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 398.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71792978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).