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

C19H22N6O2 — CID 126895445

IUPAC5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(N2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-13-22-19(27-23-13)25-9-7-24(8-10-25)14-5-6-17-16(11-14)18(21-12-20-17)26-15-3-2-4-15/h5-6,11-12,15H,2-4,7-10H2,1H3
InChIKeyDHCJBRZEZRTTJH-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.58
Rot. Bonds4

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

5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 126895445) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID126895445
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(N2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-13-22-19(27-23-13)25-9-7-24(8-10-25)14-5-6-17-16(11-14)18(21-12-20-17)26-15-3-2-4-15/h5-6,11-12,15H,2-4,7-10H2,1H3
InChIKeyDHCJBRZEZRTTJH-UHFFFAOYSA-N
XLogP2.58
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
CID 126895341
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole (CID 126895445) is 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(N2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)n1.
What is the InChIKey of 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is DHCJBRZEZRTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-22-19(27-23-13)25-9-7-24(8-10-25)14-5-6-17-16(11-14)18(21-12-20-17)26-15-3-2-4-15/h5-6,11-12,15H,2-4,7-10H2,1H3.
What are the key properties of 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole?
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 366.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126895445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).