(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

C19H24N4O3 — CID 165421150

IUPAC(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2noc(-c3ccccc3)n2)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C19H24N4O3/c1-4-22-12-17(24)23(15(19(22)25)10-13(2)3)11-16-20-18(26-21-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m0/s1
InChIKeyMREIEIUKTGZOHR-HNNXBMFYSA-N
MW356.43 g/mol
LogP2.34
Rot. Bonds6

About (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 165421150) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID165421150
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2noc(-c3ccccc3)n2)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C19H24N4O3/c1-4-22-12-17(24)23(15(19(22)25)10-13(2)3)11-16-20-18(26-21-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m0/s1
InChIKeyMREIEIUKTGZOHR-HNNXBMFYSA-N
XLogP2.34
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

(3S)-1-ethyl-3-(2-methylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 165421657
(3S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 164697575
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 165424506
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 154736743
3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 136524266
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 47087536
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 165421150) is (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is CCN1CC(=O)N(Cc2noc(-c3ccccc3)n2)[C@@H](CC(C)C)C1=O.
What is the InChIKey of (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is MREIEIUKTGZOHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-22-12-17(24)23(15(19(22)25)10-13(2)3)11-16-20-18(26-21-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
(3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 356.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(2-methylpropyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).