(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

C26H27N5O3 — CID 30871497

IUPAC(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)c1
InChIInChI=1S/C26H27N5O3/c1-17-13-18(2)15-21(14-17)26(32)31-11-9-30(10-12-31)16-22-27-28-25(33-22)23-19(3)34-29-24(23)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyWGDRBAWIDJWSBM-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.27
Rot. Bonds5

About (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30871497) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID30871497
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)c1
InChIInChI=1S/C26H27N5O3/c1-17-13-18(2)15-21(14-17)26(32)31-11-9-30(10-12-31)16-22-27-28-25(33-22)23-19(3)34-29-24(23)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyWGDRBAWIDJWSBM-UHFFFAOYSA-N
XLogP4.27
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
CID 26519005
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 31469209
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 86947225
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046419
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 11931900
(2R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-2-carboxamide
CID 9292585
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 128941234

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 30871497) is (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is Cc1cc(C)cc(C(=O)N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WGDRBAWIDJWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17-13-18(2)15-21(14-17)26(32)31-11-9-30(10-12-31)16-22-27-28-25(33-22)23-19(3)34-29-24(23)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30871497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).