5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole

C22H29N3O — CID 59657734

IUPAC5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(C2CCCCC2)ccc1-c1nc(C2CCN(C3CC3)CC2)no1
InChIInChI=1S/C22H29N3O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-23-21(24-26-22)18-12-14-25(15-13-18)20-10-11-20/h6-9,16,18,20H,1-5,10-15H2
InChIKeyRVDPTHBYMCFZMN-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.13
Rot. Bonds4

About 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 59657734) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID59657734
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(C2CCCCC2)ccc1-c1nc(C2CCN(C3CC3)CC2)no1
InChIInChI=1S/C22H29N3O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-23-21(24-26-22)18-12-14-25(15-13-18)20-10-11-20/h6-9,16,18,20H,1-5,10-15H2
InChIKeyRVDPTHBYMCFZMN-UHFFFAOYSA-N
XLogP5.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 59657786
3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 2179964
2-[4-[3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzaldehyde
CID 87452583
5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 91486153
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
CID 143066868
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole (CID 59657734) is 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole is c1cc(C2CCCCC2)ccc1-c1nc(C2CCN(C3CC3)CC2)no1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is RVDPTHBYMCFZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-23-21(24-26-22)18-12-14-25(15-13-18)20-10-11-20/h6-9,16,18,20H,1-5,10-15H2.
What are the key properties of 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole?
5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 351.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 59657734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).