5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C17H19FN6O — CID 56792724

IUPAC5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(c3ncnc4cc(F)ccc34)CC2)no1
InChIInChI=1S/C17H19FN6O/c1-2-16-21-15(22-25-16)10-23-5-7-24(8-6-23)17-13-4-3-12(18)9-14(13)19-11-20-17/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDNRKMFLHDGPFFI-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.04
Rot. Bonds4

About 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56792724) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56792724
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(c3ncnc4cc(F)ccc34)CC2)no1
InChIInChI=1S/C17H19FN6O/c1-2-16-21-15(22-25-16)10-23-5-7-24(8-6-23)17-13-4-3-12(18)9-14(13)19-11-20-17/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDNRKMFLHDGPFFI-UHFFFAOYSA-N
XLogP2.04
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 56792724) is 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(CN2CCN(c3ncnc4cc(F)ccc34)CC2)no1.
What is the InChIKey of 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DNRKMFLHDGPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-2-16-21-15(22-25-16)10-23-5-7-24(8-6-23)17-13-4-3-12(18)9-14(13)19-11-20-17/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 342.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[4-(7-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56792724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).