1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one

C14H8F3N3O2S — CID 69130821

IUPAC1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2nc(-c3ccncc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)11(21)7-9-1-2-10(23-9)13-19-12(20-22-13)8-3-5-18-6-4-8/h1-6H,7H2
InChIKeyCOVRJNHNZZVJFB-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.53
Rot. Bonds4

About 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one

1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one (PubChem CID 69130821) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one
PubChem CID69130821
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2nc(-c3ccncc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)11(21)7-9-1-2-10(23-9)13-19-12(20-22-13)8-3-5-18-6-4-8/h1-6H,7H2
InChIKeyCOVRJNHNZZVJFB-UHFFFAOYSA-N
XLogP3.53
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one (CID 69130821) is 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one is O=C(Cc1ccc(-c2nc(-c3ccncc3)no2)s1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one?
The InChIKey is COVRJNHNZZVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)11(21)7-9-1-2-10(23-9)13-19-12(20-22-13)8-3-5-18-6-4-8/h1-6H,7H2.
What are the key properties of 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one?
1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one has a molecular weight of 339.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one is sourced from PubChem (CID 69130821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).