1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C13H10F3N5O3 — CID 146141285

IUPAC1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESFC(F)(F)c1nn(Cc2nc(-c3ccon3)no2)c2c1COCC2
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)11-7-6-22-3-2-9(7)21(18-11)5-10-17-12(20-24-10)8-1-4-23-19-8/h1,4H,2-3,5-6H2
InChIKeyOUIIZYWEGISBFZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.06
Rot. Bonds3

About 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 146141285) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID146141285
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESFC(F)(F)c1nn(Cc2nc(-c3ccon3)no2)c2c1COCC2
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)11-7-6-22-3-2-9(7)21(18-11)5-10-17-12(20-24-10)8-1-4-23-19-8/h1,4H,2-3,5-6H2
InChIKeyOUIIZYWEGISBFZ-UHFFFAOYSA-N
XLogP2.06
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 146141285) is 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is FC(F)(F)c1nn(Cc2nc(-c3ccon3)no2)c2c1COCC2.
What is the InChIKey of 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is OUIIZYWEGISBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c14-13(15,16)11-7-6-22-3-2-9(7)21(18-11)5-10-17-12(20-24-10)8-1-4-23-19-8/h1,4H,2-3,5-6H2.
What are the key properties of 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 341.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 146141285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).