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

C19H26N4O — CID 95280518

IUPAC3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN([C@H]3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C19H26N4O/c1-14(19-20-15(2)21-24-19)22-10-12-23(13-11-22)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14,18H,5,7,9-13H2,1-2H3/t14-,18-/m0/s1
InChIKeyXUAWMSITTKSWCR-KSSFIOAISA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds3

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

3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95280518) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95280518
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)N2CCN([C@H]3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C19H26N4O/c1-14(19-20-15(2)21-24-19)22-10-12-23(13-11-22)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14,18H,5,7,9-13H2,1-2H3/t14-,18-/m0/s1
InChIKeyXUAWMSITTKSWCR-KSSFIOAISA-N
XLogP3.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160338
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 140718493
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95280518) is 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@H](C)N2CCN([C@H]3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is XUAWMSITTKSWCR-KSSFIOAISA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(19-20-15(2)21-24-19)22-10-12-23(13-11-22)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14,18H,5,7,9-13H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 326.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95280518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).