(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one

C13H23N5O2 — CID 119880632

IUPAC(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C13H23N5O2/c1-4-11(14)13(19)18-7-5-17(6-8-18)9(2)12-15-10(3)16-20-12/h9,11H,4-8,14H2,1-3H3/t9?,11-/m0/s1
InChIKeyNZIOLEOHGQKVOM-UMJHXOGRSA-N
MW281.36 g/mol
LogP0.32
Rot. Bonds4

About (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one

(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one (PubChem CID 119880632) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
PubChem CID119880632
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C13H23N5O2/c1-4-11(14)13(19)18-7-5-17(6-8-18)9(2)12-15-10(3)16-20-12/h9,11H,4-8,14H2,1-3H3/t9?,11-/m0/s1
InChIKeyNZIOLEOHGQKVOM-UMJHXOGRSA-N
XLogP0.32
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one (CID 119880632) is (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one is CC[C@H](N)C(=O)N1CCN(C(C)c2nc(C)no2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The InChIKey is NZIOLEOHGQKVOM-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-11(14)13(19)18-7-5-17(6-8-18)9(2)12-15-10(3)16-20-12/h9,11H,4-8,14H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one has a molecular weight of 281.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119880632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).