3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C13H23N3O — CID 106743345

IUPAC3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)CCc1noc(C2CCNC(C)C2)n1
InChIInChI=1S/C13H23N3O/c1-9(2)4-5-12-15-13(17-16-12)11-6-7-14-10(3)8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyDHNHMYNFXVZOFS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds4

About 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743345) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743345
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)CCc1noc(C2CCNC(C)C2)n1
InChIInChI=1S/C13H23N3O/c1-9(2)4-5-12-15-13(17-16-12)11-6-7-14-10(3)8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyDHNHMYNFXVZOFS-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfanylmethyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743452
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743508
3-[(3,4-dimethylphenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743401
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743655
3-[(3-fluorophenyl)methyl]-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893889
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
3-[cyclopropyl(ethoxy)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743665
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743668

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743345) is 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC(C)CCc1noc(C2CCNC(C)C2)n1.
What is the InChIKey of 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is DHNHMYNFXVZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)4-5-12-15-13(17-16-12)11-6-7-14-10(3)8-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).