ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate

C11H14N4O3 — CID 25248754

IUPACethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(CC(C)n2cccn2)no1
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3
InChIKeyUUYCZEOKKKUUOK-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.25
Rot. Bonds5

About ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 25248754) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID25248754
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(CC(C)n2cccn2)no1
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3
InChIKeyUUYCZEOKKKUUOK-UHFFFAOYSA-N
XLogP1.25
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate (CID 25248754) is ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(CC(C)n2cccn2)no1.
What is the InChIKey of ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is UUYCZEOKKKUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 25248754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).