(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

C26H24N4O2 — CID 2813970

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(25-28-27-24(32-25)22-14-8-3-9-15-22)30-18-16-29(17-19-30)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyLKYCGZFZXHQEQN-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.28
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 2813970) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID2813970
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(25-28-27-24(32-25)22-14-8-3-9-15-22)30-18-16-29(17-19-30)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyLKYCGZFZXHQEQN-UHFFFAOYSA-N
XLogP4.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 146103961
1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (CID 2813970) is (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is LKYCGZFZXHQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(25-28-27-24(32-25)22-14-8-3-9-15-22)30-18-16-29(17-19-30)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 2813970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).