3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C19H26N4O — CID 154747097

IUPAC3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(=Cc1ccccc1)CN1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C19H26N4O/c1-15(13-18-7-5-4-6-8-18)14-22-9-11-23(12-10-22)16(2)19-20-17(3)21-24-19/h4-8,13,16H,9-12,14H2,1-3H3
InChIKeyKNNMLICNXUXKLA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds5

About 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 154747097) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID154747097
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(=Cc1ccccc1)CN1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C19H26N4O/c1-15(13-18-7-5-4-6-8-18)14-22-9-11-23(12-10-22)16(2)19-20-17(3)21-24-19/h4-8,13,16H,9-12,14H2,1-3H3
InChIKeyKNNMLICNXUXKLA-UHFFFAOYSA-N
XLogP3.16
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95277612
3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95273332
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 154747097) is 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CC(=Cc1ccccc1)CN1CCN(C(C)c2nc(C)no2)CC1.
What is the InChIKey of 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is KNNMLICNXUXKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(13-18-7-5-4-6-8-18)14-22-9-11-23(12-10-22)16(2)19-20-17(3)21-24-19/h4-8,13,16H,9-12,14H2,1-3H3.
What are the key properties of 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154747097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).