5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

C20H24N6O — CID 126896177

IUPAC5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)on1
InChIInChI=1S/C20H24N6O/c1-2-8-26(7-1)20-18-13-16(3-4-19(18)21-15-22-20)25-11-9-24(10-12-25)14-17-5-6-23-27-17/h3-6,13,15H,1-2,7-12,14H2
InChIKeyQYNIBFRKLHTAQH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.54
Rot. Bonds4

About 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 126896177) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID126896177
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)on1
InChIInChI=1S/C20H24N6O/c1-2-8-26(7-1)20-18-13-16(3-4-19(18)21-15-22-20)25-11-9-24(10-12-25)14-17-5-6-23-27-17/h3-6,13,15H,1-2,7-12,14H2
InChIKeyQYNIBFRKLHTAQH-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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Related Compounds

4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896178
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896200
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896066
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896199
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 126896177) is 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is c1cc(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)on1.
What is the InChIKey of 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is QYNIBFRKLHTAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-8-26(7-1)20-18-13-16(3-4-19(18)21-15-22-20)25-11-9-24(10-12-25)14-17-5-6-23-27-17/h3-6,13,15H,1-2,7-12,14H2.
What are the key properties of 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-[[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 5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126896177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).