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

C11H16N4O — CID 71996931

IUPAC5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cnn(Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C11H16N4O/c1-8(2)4-11-13-10(14-16-11)7-15-6-9(3)5-12-15/h5-6,8H,4,7H2,1-3H3
InChIKeyFFCXVAZFMKYQSW-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.82
Rot. Bonds4

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

5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 71996931) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID71996931
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cnn(Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C11H16N4O/c1-8(2)4-11-13-10(14-16-11)7-15-6-9(3)5-12-15/h5-6,8H,4,7H2,1-3H3
InChIKeyFFCXVAZFMKYQSW-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 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 71996931) is 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1cnn(Cc2noc(CC(C)C)n2)c1.
What is the InChIKey of 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FFCXVAZFMKYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(2)4-11-13-10(14-16-11)7-15-6-9(3)5-12-15/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(2-methylpropyl)-3-[(4-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 5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).