5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C14H22N6O — CID 56711321

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1Cc1nc(CN2CCN(C)CC2)no1
InChIInChI=1S/C14H22N6O/c1-10-12(11(2)17-16-10)8-14-15-13(18-21-14)9-20-6-4-19(3)5-7-20/h4-9H2,1-3H3,(H,16,17)
InChIKeyQNJOKFAWEXEHDO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.75
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56711321) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID56711321
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1n[nH]c(C)c1Cc1nc(CN2CCN(C)CC2)no1
InChIInChI=1S/C14H22N6O/c1-10-12(11(2)17-16-10)8-14-15-13(18-21-14)9-20-6-4-19(3)5-7-20/h4-9H2,1-3H3,(H,16,17)
InChIKeyQNJOKFAWEXEHDO-UHFFFAOYSA-N
XLogP0.75
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 29219599
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 77078989
N-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 124213755
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 131903345
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 132414538
1-[5-[[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862964
5-[[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956859
5-[[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956860
5-[[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959963
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 127705652
N-[2-[5-[[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 132377855
4-({5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-1-methylpiperidine
CID 56700861

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 56711321) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is Cc1n[nH]c(C)c1Cc1nc(CN2CCN(C)CC2)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QNJOKFAWEXEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-12(11(2)17-16-10)8-14-15-13(18-21-14)9-20-6-4-19(3)5-7-20/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56711321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).