3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C25H25N7O2 — CID 46594335

IUPAC3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4nc5cc(C)nn5c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H25N7O2/c1-17-15-22-26-25(20-5-3-4-6-21(20)32(22)28-17)31-13-11-30(12-14-31)16-23-27-24(29-34-23)18-7-9-19(33-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyJCEWKZNDVRQUKB-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.57
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 46594335) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID46594335
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4nc5cc(C)nn5c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H25N7O2/c1-17-15-22-26-25(20-5-3-4-6-21(20)32(22)28-17)31-13-11-30(12-14-31)16-23-27-24(29-34-23)18-7-9-19(33-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyJCEWKZNDVRQUKB-UHFFFAOYSA-N
XLogP3.57
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
1-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-3-methylbenzimidazole-2-thione
CID 46698590
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
5-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30986503
3-(4-methoxyphenyl)-5-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30722370
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 46923403
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
[3-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752608

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 46594335) is 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCN(c4nc5cc(C)nn5c5ccccc45)CC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is JCEWKZNDVRQUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-17-15-22-26-25(20-5-3-4-6-21(20)32(22)28-17)31-13-11-30(12-14-31)16-23-27-24(29-34-23)18-7-9-19(33-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 455.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).