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

C7H12N4O — CID 130987725

IUPAC5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCN2)no1
InChIInChI=1S/C7H12N4O/c1-6-9-7(10-12-6)5-11-4-2-3-8-11/h8H,2-5H2,1H3
InChIKeyQLKDJBXQHAXFPW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.09
Rot. Bonds2

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

5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 130987725) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID130987725
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCN2)no1
InChIInChI=1S/C7H12N4O/c1-6-9-7(10-12-6)5-11-4-2-3-8-11/h8H,2-5H2,1H3
InChIKeyQLKDJBXQHAXFPW-UHFFFAOYSA-N
XLogP0.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
5-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)-1,2,4-oxadiazole
CID 115311521
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408536
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080275
2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106416092
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole (CID 130987725) is 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole is Cc1nc(CN2CCCN2)no1.
What is the InChIKey of 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is QLKDJBXQHAXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6-9-7(10-12-6)5-11-4-2-3-8-11/h8H,2-5H2,1H3.
What are the key properties of 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole?
5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130987725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).