2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one

C19H15FN4O2 — CID 53060260

IUPAC2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1Cc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H15FN4O2/c1-2-17-21-15-9-4-3-8-14(15)19(25)24(17)11-16-22-18(26-23-16)12-6-5-7-13(20)10-12/h3-10H,2,11H2,1H3
InChIKeyAXWSFSIKAYSJHB-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.20
Rot. Bonds4

About 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one

2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (PubChem CID 53060260) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
PubChem CID53060260
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1Cc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H15FN4O2/c1-2-17-21-15-9-4-3-8-14(15)19(25)24(17)11-16-22-18(26-23-16)12-6-5-7-13(20)10-12/h3-10H,2,11H2,1H3
InChIKeyAXWSFSIKAYSJHB-UHFFFAOYSA-N
XLogP3.20
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one 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 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (CID 53060260) is 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1Cc1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The InChIKey is AXWSFSIKAYSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-2-17-21-15-9-4-3-8-14(15)19(25)24(17)11-16-22-18(26-23-16)12-6-5-7-13(20)10-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one has a molecular weight of 350.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 53060260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).