5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C22H28N6O2 — CID 126895138

IUPAC5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ncnc2ccc(N3CCN(Cc4noc(C5CCC5)n4)CC3)cc12
InChIInChI=1S/C22H28N6O2/c1-15(2)29-22-18-12-17(6-7-19(18)23-14-24-22)28-10-8-27(9-11-28)13-20-25-21(30-26-20)16-4-3-5-16/h6-7,12,14-16H,3-5,8-11,13H2,1-2H3
InChIKeyFCYNFPDCCWVSOF-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.39
Rot. Bonds6

About 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 126895138) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID126895138
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ncnc2ccc(N3CCN(Cc4noc(C5CCC5)n4)CC3)cc12
InChIInChI=1S/C22H28N6O2/c1-15(2)29-22-18-12-17(6-7-19(18)23-14-24-22)28-10-8-27(9-11-28)13-20-25-21(30-26-20)16-4-3-5-16/h6-7,12,14-16H,3-5,8-11,13H2,1-2H3
InChIKeyFCYNFPDCCWVSOF-UHFFFAOYSA-N
XLogP3.39
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 126894391
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 126895138) is 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)Oc1ncnc2ccc(N3CCN(Cc4noc(C5CCC5)n4)CC3)cc12.
What is the InChIKey of 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is FCYNFPDCCWVSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15(2)29-22-18-12-17(6-7-19(18)23-14-24-22)28-10-8-27(9-11-28)13-20-25-21(30-26-20)16-4-3-5-16/h6-7,12,14-16H,3-5,8-11,13H2,1-2H3.
What are the key properties of 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 408.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126895138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).