3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

C11H16N4O — CID 75514064

IUPAC3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccn(Cc2nc(CC(C)C)no2)n1
InChIInChI=1S/C11H16N4O/c1-8(2)6-10-12-11(16-14-10)7-15-5-4-9(3)13-15/h4-5,8H,6-7H2,1-3H3
InChIKeyUCHJTOMEQNUIHY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.82
Rot. Bonds4

About 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 75514064) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID75514064
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccn(Cc2nc(CC(C)C)no2)n1
InChIInChI=1S/C11H16N4O/c1-8(2)6-10-12-11(16-14-10)7-15-5-4-9(3)13-15/h4-5,8H,6-7H2,1-3H3
InChIKeyUCHJTOMEQNUIHY-UHFFFAOYSA-N
XLogP1.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 75514064) is 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1ccn(Cc2nc(CC(C)C)no2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is UCHJTOMEQNUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(2)6-10-12-11(16-14-10)7-15-5-4-9(3)13-15/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75514064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).