3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole

C20H21N3O — CID 2761148

IUPAC3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(C(c2ccccc2)c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-22-20(24-23-19)17-11-13-21-14-12-17/h1-10,17-18,21H,11-14H2
InChIKeyCPRQKDVHUSKGTQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.72
Rot. Bonds4

About 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole

3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 2761148) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID2761148
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(C(c2ccccc2)c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-22-20(24-23-19)17-11-13-21-14-12-17/h1-10,17-18,21H,11-14H2
InChIKeyCPRQKDVHUSKGTQ-UHFFFAOYSA-N
XLogP3.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole (CID 2761148) is 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole is c1ccc(C(c2ccccc2)c2noc(C3CCNCC3)n2)cc1.
What is the InChIKey of 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is CPRQKDVHUSKGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-22-20(24-23-19)17-11-13-21-14-12-17/h1-10,17-18,21H,11-14H2.
What are the key properties of 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole?
3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2761148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).