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

C19H23FN6O2 — CID 133324990

IUPAC3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C19H23FN6O2/c1-3-27-13(2)18-23-17(28-24-18)11-25-6-8-26(9-7-25)19-15-10-14(20)4-5-16(15)21-12-22-19/h4-5,10,12-13H,3,6-9,11H2,1-2H3
InChIKeyNMKWLDKITJZZOG-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.57
Rot. Bonds6

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

3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 133324990) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID133324990
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C19H23FN6O2/c1-3-27-13(2)18-23-17(28-24-18)11-25-6-8-26(9-7-25)19-15-10-14(20)4-5-16(15)21-12-22-19/h4-5,10,12-13H,3,6-9,11H2,1-2H3
InChIKeyNMKWLDKITJZZOG-UHFFFAOYSA-N
XLogP2.57
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324977
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71995970
5-[[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133403489
5-[[4-(5-bromo-3-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324968
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
(2S)-2-[4-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)acetamide
CID 96519889
5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901282
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoroquinazoline
CID 24742053

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 133324990) is 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCOC(C)c1noc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NMKWLDKITJZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-3-27-13(2)18-23-17(28-24-18)11-25-6-8-26(9-7-25)19-15-10-14(20)4-5-16(15)21-12-22-19/h4-5,10,12-13H,3,6-9,11H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 386.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133324990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).