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

C18H13FN4O2 — CID 53060188

IUPAC3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-20-15-5-3-2-4-14(15)18(24)23(11)10-16-21-17(25-22-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyLEDGYJLLPHUTJQ-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.94
Rot. Bonds3

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

3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one (PubChem CID 53060188) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
PubChem CID53060188
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-20-15-5-3-2-4-14(15)18(24)23(11)10-16-21-17(25-22-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyLEDGYJLLPHUTJQ-UHFFFAOYSA-N
XLogP2.94
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one (CID 53060188) is 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1Cc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The InChIKey is LEDGYJLLPHUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-20-15-5-3-2-4-14(15)18(24)23(11)10-16-21-17(25-22-16)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one has a molecular weight of 336.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 53060188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).