2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole

C9H14F2N4O — CID 158718259

IUPAC2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCCC1CN(c2nnc(C(F)F)o2)CCN1
InChIInChI=1S/C9H14F2N4O/c1-2-6-5-15(4-3-12-6)9-14-13-8(16-9)7(10)11/h6-7,12H,2-5H2,1H3
InChIKeyIJPBQTSALPDSIC-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.20
Rot. Bonds3

About 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 158718259) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID158718259
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCCC1CN(c2nnc(C(F)F)o2)CCN1
InChIInChI=1S/C9H14F2N4O/c1-2-6-5-15(4-3-12-6)9-14-13-8(16-9)7(10)11/h6-7,12H,2-5H2,1H3
InChIKeyIJPBQTSALPDSIC-UHFFFAOYSA-N
XLogP1.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole (CID 158718259) is 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole is CCC1CN(c2nnc(C(F)F)o2)CCN1.
What is the InChIKey of 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is IJPBQTSALPDSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-6-5-15(4-3-12-6)9-14-13-8(16-9)7(10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 232.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(3-ethylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 158718259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).