5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C23H25N7O — CID 71866134

IUPAC5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC(c1nc(-c2ncn[nH]2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N7O/c1-17(23-26-22(28-31-23)21-24-16-25-27-21)29-12-14-30(15-13-29)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3,(H,24,25,27)
InChIKeyINIHMUJMUHDMQV-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.32
Rot. Bonds6

About 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71866134) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID71866134
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC(c1nc(-c2ncn[nH]2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N7O/c1-17(23-26-22(28-31-23)21-24-16-25-27-21)29-12-14-30(15-13-29)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3,(H,24,25,27)
InChIKeyINIHMUJMUHDMQV-UHFFFAOYSA-N
XLogP3.32
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-phenylpropyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944290
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274008
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104899989
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
5-(2-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944633
5-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60501468
1-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylurea
CID 97334991

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 71866134) is 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CC(c1nc(-c2ncn[nH]2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is INIHMUJMUHDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-17(23-26-22(28-31-23)21-24-16-25-27-21)29-12-14-30(15-13-29)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20H,12-15H2,1H3,(H,24,25,27).
What are the key properties of 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 415.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71866134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).