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

C19H16F3N3O3S — CID 71793018

IUPAC[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)28-15-3-1-13(2-4-15)18(26)25-8-5-12(6-9-25)16-23-24-17(27-16)14-7-10-29-11-14/h1-4,7,10-12H,5-6,8-9H2
InChIKeyBDDQMPGHPZTSKG-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.72
Rot. Bonds4

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

[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 71793018) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID71793018
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)28-15-3-1-13(2-4-15)18(26)25-8-5-12(6-9-25)16-23-24-17(27-16)14-7-10-29-11-14/h1-4,7,10-12H,5-6,8-9H2
InChIKeyBDDQMPGHPZTSKG-UHFFFAOYSA-N
XLogP4.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 71793018) is [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is BDDQMPGHPZTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)28-15-3-1-13(2-4-15)18(26)25-8-5-12(6-9-25)16-23-24-17(27-16)14-7-10-29-11-14/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 423.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 71793018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).