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

C21H28N6O2 — CID 126895053

IUPAC3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ncnc2ccc(N3CCN(Cc4nc(C(C)C)no4)CC3)cc12
InChIInChI=1S/C21H28N6O2/c1-14(2)20-24-19(29-25-20)12-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(23-13-22-18)28-15(3)4/h5-6,11,13-15H,7-10,12H2,1-4H3
InChIKeyHWYAXNLFBCMGSM-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.25
Rot. Bonds6

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

3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 126895053) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID126895053
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ncnc2ccc(N3CCN(Cc4nc(C(C)C)no4)CC3)cc12
InChIInChI=1S/C21H28N6O2/c1-14(2)20-24-19(29-25-20)12-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(23-13-22-18)28-15(3)4/h5-6,11,13-15H,7-10,12H2,1-4H3
InChIKeyHWYAXNLFBCMGSM-UHFFFAOYSA-N
XLogP3.25
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
5-[[4-(3-bromophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 165432503
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126896518
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126896543
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133324990

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 126895053) is 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)Oc1ncnc2ccc(N3CCN(Cc4nc(C(C)C)no4)CC3)cc12.
What is the InChIKey of 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HWYAXNLFBCMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14(2)20-24-19(29-25-20)12-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(23-13-22-18)28-15(3)4/h5-6,11,13-15H,7-10,12H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 396.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126895053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).