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

C10H6F3N3O2 — CID 63346832

IUPAC1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESO=C(Cc1nc(-c2ccccn2)no1)C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7(17)5-8-15-9(16-18-8)6-3-1-2-4-14-6/h1-4H,5H2
InChIKeyJERZTPDCBCKAPT-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.81
Rot. Bonds3

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

1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 63346832) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
PubChem CID63346832
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESO=C(Cc1nc(-c2ccccn2)no1)C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7(17)5-8-15-9(16-18-8)6-3-1-2-4-14-6/h1-4H,5H2
InChIKeyJERZTPDCBCKAPT-UHFFFAOYSA-N
XLogP1.81
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 63346832) is 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one is O=C(Cc1nc(-c2ccccn2)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The InChIKey is JERZTPDCBCKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)7(17)5-8-15-9(16-18-8)6-3-1-2-4-14-6/h1-4H,5H2.
What are the key properties of 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 257.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 63346832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).