5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole

C26H26N4O — CID 1280376

IUPAC5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C26H26N4O/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-27-26(28-31-24)23-14-8-3-9-15-23/h1-15,25H,16-20H2
InChIKeySKWVFSCLLXIEEJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.64
Rot. Bonds6

About 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole

5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 1280376) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID1280376
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C26H26N4O/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-27-26(28-31-24)23-14-8-3-9-15-23/h1-15,25H,16-20H2
InChIKeySKWVFSCLLXIEEJ-UHFFFAOYSA-N
XLogP4.64
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
1-(3-p-Tolyl-[1,2,4]oxadiazol-5-ylmethyl)-piperidine-4-carboxylic acid amide
CID 648164
1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 662946
4-Benzyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 750953
N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenylpropanamide
CID 1250310
2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)propanamide
CID 1257973
Ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate
CID 2235829
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
2,6-Dimethyl-1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 2943663
1-Benzyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 2960135

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (CID 1280376) is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is SKWVFSCLLXIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-27-26(28-31-24)23-14-8-3-9-15-23/h1-15,25H,16-20H2.
What are the key properties of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 410.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 1280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).