5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole

C7H12N2O2 — CID 130686295

IUPAC5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C(C)C)no1
InChIInChI=1S/C7H12N2O2/c1-4-10-7-8-6(5(2)3)9-11-7/h5H,4H2,1-3H3
InChIKeyLQRFVRVAALDATI-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.59
Rot. Bonds3

About 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole

5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 130686295) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID130686295
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C(C)C)no1
InChIInChI=1S/C7H12N2O2/c1-4-10-7-8-6(5(2)3)9-11-7/h5H,4H2,1-3H3
InChIKeyLQRFVRVAALDATI-UHFFFAOYSA-N
XLogP1.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole (CID 130686295) is 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole is CCOc1nc(C(C)C)no1.
What is the InChIKey of 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LQRFVRVAALDATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-10-7-8-6(5(2)3)9-11-7/h5H,4H2,1-3H3.
What are the key properties of 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole?
5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 156.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 130686295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).