3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole

C8H14N4O — CID 6483748

IUPAC3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCNCC1
InChIInChI=1S/C8H14N4O/c1-7-8(11-13-10-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKeyIADZORFSCHBHIT-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.22
Rot. Bonds2

About 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole

3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole (PubChem CID 6483748) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole
PubChem CID6483748
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCNCC1
InChIInChI=1S/C8H14N4O/c1-7-8(11-13-10-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKeyIADZORFSCHBHIT-UHFFFAOYSA-N
XLogP-0.22
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 64063453
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CID 64063840
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CID 105935764
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CID 115518360
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CID 115518970
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CID 137629912
CID 137629912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole (CID 6483748) is 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole is Cc1nonc1CN1CCNCC1.
What is the InChIKey of 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole?
The InChIKey is IADZORFSCHBHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-8(11-13-10-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3.
What are the key properties of 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole?
3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole has a molecular weight of 182.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 6483748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).