3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

C15H24N4O3 — CID 97065260

IUPAC3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1nc([C@@H](C)OCC(C)C)no1
InChIInChI=1S/C15H24N4O3/c1-9(2)7-20-12(5)15-16-13(22-18-15)8-21-14-10(3)17-19(6)11(14)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyHBJZFJHIVPZANY-GFCCVEGCSA-N
MW308.38 g/mol
LogP2.73
Rot. Bonds7

About 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 97065260) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID97065260
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1nc([C@@H](C)OCC(C)C)no1
InChIInChI=1S/C15H24N4O3/c1-9(2)7-20-12(5)15-16-13(22-18-15)8-21-14-10(3)17-19(6)11(14)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyHBJZFJHIVPZANY-GFCCVEGCSA-N
XLogP2.73
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (CID 97065260) is 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1OCc1nc([C@@H](C)OCC(C)C)no1.
What is the InChIKey of 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is HBJZFJHIVPZANY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9(2)7-20-12(5)15-16-13(22-18-15)8-21-14-10(3)17-19(6)11(14)4/h9,12H,7-8H2,1-6H3/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97065260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).