[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H23N5O2 — CID 55503055

IUPAC[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)o1
InChIInChI=1S/C25H23N5O2/c1-18-6-2-3-7-21(18)24-28-27-23(32-24)19-9-11-20(12-10-19)25(31)30-16-14-29(15-17-30)22-8-4-5-13-26-22/h2-13H,14-17H2,1H3
InChIKeyIZQYPUAGFHXIKF-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.07
Rot. Bonds4

About [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 55503055) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID55503055
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)o1
InChIInChI=1S/C25H23N5O2/c1-18-6-2-3-7-21(18)24-28-27-23(32-24)19-9-11-20(12-10-19)25(31)30-16-14-29(15-17-30)22-8-4-5-13-26-22/h2-13H,14-17H2,1H3
InChIKeyIZQYPUAGFHXIKF-UHFFFAOYSA-N
XLogP4.07
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 43048457
[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 55645978
3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
CID 24660929
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 47021153
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536633
N-(4-methylphenyl)-2-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 24616329
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 55503065
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 52666458

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 55503055) is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)o1.
What is the InChIKey of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IZQYPUAGFHXIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-18-6-2-3-7-21(18)24-28-27-23(32-24)19-9-11-20(12-10-19)25(31)30-16-14-29(15-17-30)22-8-4-5-13-26-22/h2-13H,14-17H2,1H3.
What are the key properties of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 425.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55503055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).