5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole

C8H14N2O — CID 143984841

IUPAC5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc([C@@H](C)CC)n1
InChIInChI=1S/C8H14N2O/c1-4-6(3)8-9-7(5-2)10-11-8/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyHXJVAOCORUGALI-LURJTMIESA-N
MW154.21 g/mol
LogP2.15
Rot. Bonds3

About 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole

5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 143984841) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
PubChem CID143984841
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc([C@@H](C)CC)n1
InChIInChI=1S/C8H14N2O/c1-4-6(3)8-9-7(5-2)10-11-8/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyHXJVAOCORUGALI-LURJTMIESA-N
XLogP2.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole (CID 143984841) is 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole is CCc1noc([C@@H](C)CC)n1.
What is the InChIKey of 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is HXJVAOCORUGALI-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6(3)8-9-7(5-2)10-11-8/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole?
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 154.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 143984841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).