(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine

C8H15N3O — CID 94344079

IUPAC(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC[C@H](C)c1nnc([C@H](C)N)o1
InChIInChI=1S/C8H15N3O/c1-4-5(2)7-10-11-8(12-7)6(3)9/h5-6H,4,9H2,1-3H3/t5-,6-/m0/s1
InChIKeyBJLXIEVKJIKZKU-WDSKDSINSA-N
MW169.23 g/mol
LogP1.60
Rot. Bonds3

About (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 94344079) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID94344079
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC[C@H](C)c1nnc([C@H](C)N)o1
InChIInChI=1S/C8H15N3O/c1-4-5(2)7-10-11-8(12-7)6(3)9/h5-6H,4,9H2,1-3H3/t5-,6-/m0/s1
InChIKeyBJLXIEVKJIKZKU-WDSKDSINSA-N
XLogP1.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 94344079) is (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine is CC[C@H](C)c1nnc([C@H](C)N)o1.
What is the InChIKey of (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is BJLXIEVKJIKZKU-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5(2)7-10-11-8(12-7)6(3)9/h5-6H,4,9H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 94344079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).