4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

C20H24N6O — CID 126896178

IUPAC4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1nc(N2CCCC2)c2cc(N3CCN(Cc4cnoc4)CC3)ccc2n1
InChIInChI=1S/C20H24N6O/c1-2-6-26(5-1)20-18-11-17(3-4-19(18)21-15-22-20)25-9-7-24(8-10-25)13-16-12-23-27-14-16/h3-4,11-12,14-15H,1-2,5-10,13H2
InChIKeyJUZHDRHLUFCUHT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.54
Rot. Bonds4

About 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 126896178) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID126896178
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1nc(N2CCCC2)c2cc(N3CCN(Cc4cnoc4)CC3)ccc2n1
InChIInChI=1S/C20H24N6O/c1-2-6-26(5-1)20-18-11-17(3-4-19(18)21-15-22-20)25-9-7-24(8-10-25)13-16-12-23-27-14-16/h3-4,11-12,14-15H,1-2,5-10,13H2
InChIKeyJUZHDRHLUFCUHT-UHFFFAOYSA-N
XLogP2.54
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 126896178) is 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is c1nc(N2CCCC2)c2cc(N3CCN(Cc4cnoc4)CC3)ccc2n1.
What is the InChIKey of 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is JUZHDRHLUFCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-6-26(5-1)20-18-11-17(3-4-19(18)21-15-22-20)25-9-7-24(8-10-25)13-16-12-23-27-14-16/h3-4,11-12,14-15H,1-2,5-10,13H2.
What are the key properties of 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 364.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).