5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C24H35N3O — CID 167745043

IUPAC5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCCC(CC1CCCCC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1
InChIInChI=1S/C24H35N3O/c1-2-21(16-19-10-5-3-6-11-19)24-25-23(26-28-24)22-13-9-12-20(17-22)18-27-14-7-4-8-15-27/h9,12-13,17,19,21H,2-8,10-11,14-16,18H2,1H3
InChIKeyCZRWDGLAPHHJFW-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.19
Rot. Bonds7

About 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 167745043) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID167745043
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESCCC(CC1CCCCC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1
InChIInChI=1S/C24H35N3O/c1-2-21(16-19-10-5-3-6-11-19)24-25-23(26-28-24)22-13-9-12-20(17-22)18-27-14-7-4-8-15-27/h9,12-13,17,19,21H,2-8,10-11,14-16,18H2,1H3
InChIKeyCZRWDGLAPHHJFW-UHFFFAOYSA-N
XLogP6.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
2-(4-fluorophenyl)-2-[3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120839370
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
5-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 129377806
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 75453244
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120839400
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166201264
N-[1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 46099786
N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 92760760
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59604058
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]-N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
CID 124845138

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 167745043) is 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CCC(CC1CCCCC1)c1nc(-c2cccc(CN3CCCCC3)c2)no1.
What is the InChIKey of 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CZRWDGLAPHHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-2-21(16-19-10-5-3-6-11-19)24-25-23(26-28-24)22-13-9-12-20(17-22)18-27-14-7-4-8-15-27/h9,12-13,17,19,21H,2-8,10-11,14-16,18H2,1H3.
What are the key properties of 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 381.56 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167745043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).