3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole

C14H18N6O — CID 127870604

IUPAC3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1Cc1nc(Cc2cncn2C)no1
InChIInChI=1S/C14H18N6O/c1-9-12(10(2)20(4)17-9)6-14-16-13(18-21-14)5-11-7-15-8-19(11)3/h7-8H,5-6H2,1-4H3
InChIKeyLPZWRBMVIZAWHR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.34
Rot. Bonds4

About 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole

3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 127870604) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID127870604
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1Cc1nc(Cc2cncn2C)no1
InChIInChI=1S/C14H18N6O/c1-9-12(10(2)20(4)17-9)6-14-16-13(18-21-14)5-11-7-15-8-19(11)3/h7-8H,5-6H2,1-4H3
InChIKeyLPZWRBMVIZAWHR-UHFFFAOYSA-N
XLogP1.34
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole (CID 127870604) is 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1Cc1nc(Cc2cncn2C)no1.
What is the InChIKey of 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LPZWRBMVIZAWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-12(10(2)20(4)17-9)6-14-16-13(18-21-14)5-11-7-15-8-19(11)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole?
3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 286.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127870604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).