5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C20H24N6O2 — CID 126894391

IUPAC5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ncc2cc(N3CCN(Cc4noc(C5CCOCC5)n4)CC3)ccc2n1
InChIInChI=1S/C20H24N6O2/c1-2-18-16(12-21-14-22-18)11-17(1)26-7-5-25(6-8-26)13-19-23-20(28-24-19)15-3-9-27-10-4-15/h1-2,11-12,14-15H,3-10,13H2
InChIKeyTZQXAODLRDHOAA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.23
Rot. Bonds4

About 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 126894391) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID126894391
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ncc2cc(N3CCN(Cc4noc(C5CCOCC5)n4)CC3)ccc2n1
InChIInChI=1S/C20H24N6O2/c1-2-18-16(12-21-14-22-18)11-17(1)26-7-5-25(6-8-26)13-19-23-20(28-24-19)15-3-9-27-10-4-15/h1-2,11-12,14-15H,3-10,13H2
InChIKeyTZQXAODLRDHOAA-UHFFFAOYSA-N
XLogP2.23
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887311
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
5-cyclopropyl-3-[[4-(5-methyl-3-nitro-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 75374274
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 126894391) is 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1ncc2cc(N3CCN(Cc4noc(C5CCOCC5)n4)CC3)ccc2n1.
What is the InChIKey of 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is TZQXAODLRDHOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-18-16(12-21-14-22-18)11-17(1)26-7-5-25(6-8-26)13-19-23-20(28-24-19)15-3-9-27-10-4-15/h1-2,11-12,14-15H,3-10,13H2.
What are the key properties of 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 380.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126894391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).