5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

C9H11FN4O — CID 167926591

IUPAC5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(F)c1nc(Cn2cccn2)no1
InChIInChI=1S/C9H11FN4O/c1-9(2,10)8-12-7(13-15-8)6-14-5-3-4-11-14/h3-5H,6H2,1-2H3
InChIKeyCZHVTENRYSFXET-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.52
Rot. Bonds3

About 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167926591) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID167926591
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(F)c1nc(Cn2cccn2)no1
InChIInChI=1S/C9H11FN4O/c1-9(2,10)8-12-7(13-15-8)6-14-5-3-4-11-14/h3-5H,6H2,1-2H3
InChIKeyCZHVTENRYSFXET-UHFFFAOYSA-N
XLogP1.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 167926591) is 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is CC(C)(F)c1nc(Cn2cccn2)no1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is CZHVTENRYSFXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-9(2,10)8-12-7(13-15-8)6-14-5-3-4-11-14/h3-5H,6H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 210.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167926591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).