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

C9H15N3O — CID 58487567

IUPAC3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CNC[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyOZOBPXLCDJYZJT-XPUUQOCRSA-N
MW181.24 g/mol
LogP1.09
Rot. Bonds1

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

3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 58487567) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID58487567
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CNC[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyOZOBPXLCDJYZJT-XPUUQOCRSA-N
XLogP1.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-propan-2-ylcyclobutyl)-1,2,4-oxadiazole
CID 176864448
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
CID 146049926
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
CID 162193867
CID 162193867
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 166606249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole (CID 58487567) is 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CNC[C@@H](C)C2)n1.
What is the InChIKey of 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is OZOBPXLCDJYZJT-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 58487567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).