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

C15H20N4O — CID 124757385

IUPAC5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN[C@@H](c3ccccc3)C2)no1
InChIInChI=1S/C15H20N4O/c1-2-15-17-14(18-20-15)11-19-9-8-16-13(10-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyWHJDHYBTZFAPBX-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds4

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

5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 124757385) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID124757385
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN[C@@H](c3ccccc3)C2)no1
InChIInChI=1S/C15H20N4O/c1-2-15-17-14(18-20-15)11-19-9-8-16-13(10-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyWHJDHYBTZFAPBX-CYBMUJFWSA-N
XLogP1.78
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
(3S,4R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761572
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 114186803
3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408561
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(Z)-3-phenylprop-2-enyl]piperidin-3-amine
CID 98511917
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
CID 166432752
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 124757385) is 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(CN2CCN[C@@H](c3ccccc3)C2)no1.
What is the InChIKey of 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WHJDHYBTZFAPBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-15-17-14(18-20-15)11-19-9-8-16-13(10-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 124757385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).