5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole

C14H9ClF3N3O — CID 143910135

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(C2=NC(c3ccncc3)NO2)ccc1Cl
InChIInChI=1S/C14H9ClF3N3O/c15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h1-7,12,21H
InChIKeyXOLNSOSLZRTPLM-UHFFFAOYSA-N
MW327.69 g/mol
LogP3.73
Rot. Bonds2

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole

5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 143910135) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole
PubChem CID143910135
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(C2=NC(c3ccncc3)NO2)ccc1Cl
InChIInChI=1S/C14H9ClF3N3O/c15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h1-7,12,21H
InChIKeyXOLNSOSLZRTPLM-UHFFFAOYSA-N
XLogP3.73
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole (CID 143910135) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole is FC(F)(F)c1cc(C2=NC(c3ccncc3)NO2)ccc1Cl.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is XOLNSOSLZRTPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h1-7,12,21H.
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole?
5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 327.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).