5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole

C22H25N3O — CID 59657771

IUPAC5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCCC(c2noc(-c3ccc(-c4ccccc4)cc3)n2)C1
InChIInChI=1S/C22H25N3O/c1-16(2)25-14-6-9-20(15-25)21-23-22(26-24-21)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
InChIKeyXIMUEJSIHXEUAI-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.99
Rot. Bonds4

About 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole

5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 59657771) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID59657771
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCCC(c2noc(-c3ccc(-c4ccccc4)cc3)n2)C1
InChIInChI=1S/C22H25N3O/c1-16(2)25-14-6-9-20(15-25)21-23-22(26-24-21)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
InChIKeyXIMUEJSIHXEUAI-UHFFFAOYSA-N
XLogP4.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole (CID 59657771) is 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole is CC(C)N1CCCC(c2noc(-c3ccc(-c4ccccc4)cc3)n2)C1.
What is the InChIKey of 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is XIMUEJSIHXEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(2)25-14-6-9-20(15-25)21-23-22(26-24-21)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3.
What are the key properties of 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole?
5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 347.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 59657771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).