5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C16H22N4O — CID 97317023

IUPAC5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN([C@H](C)c3ccccc3)CC2)no1
InChIInChI=1S/C16H22N4O/c1-13(15-6-4-3-5-7-15)20-10-8-19(9-11-20)12-16-17-14(2)21-18-16/h3-7,13H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyKSGIEFPHMZEDMJ-CYBMUJFWSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds4

About 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 97317023) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID97317023
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN([C@H](C)c3ccccc3)CC2)no1
InChIInChI=1S/C16H22N4O/c1-13(15-6-4-3-5-7-15)20-10-8-19(9-11-20)12-16-17-14(2)21-18-16/h3-7,13H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyKSGIEFPHMZEDMJ-CYBMUJFWSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-methyl-3-[[4-[(2S)-2-phenylpropyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99449132
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
3-[[4-[(2-chloroquinolin-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75524387
1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
CID 44768073
5-methyl-3-[[4-[(3S)-3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99927931
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492
5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51122237
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 97317023) is 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCN([C@H](C)c3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KSGIEFPHMZEDMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(15-6-4-3-5-7-15)20-10-8-19(9-11-20)12-16-17-14(2)21-18-16/h3-7,13H,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97317023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).