3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione

C16H11FN2O3 — CID 21323793

IUPAC3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccccc1-c1nc(=O)n(-c2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C16H11FN2O3/c1-10-4-2-3-5-13(10)14-18-15(20)19(16(21)22-14)12-8-6-11(17)7-9-12/h2-9H,1H3
InChIKeyUFWWWGHVWDNZQH-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.30
Rot. Bonds2

About 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione

3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323793) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323793
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccccc1-c1nc(=O)n(-c2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C16H11FN2O3/c1-10-4-2-3-5-13(10)14-18-15(20)19(16(21)22-14)12-8-6-11(17)7-9-12/h2-9H,1H3
InChIKeyUFWWWGHVWDNZQH-UHFFFAOYSA-N
XLogP2.30
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323793) is 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione is Cc1ccccc1-c1nc(=O)n(-c2ccc(F)cc2)c(=O)o1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is UFWWWGHVWDNZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-10-4-2-3-5-13(10)14-18-15(20)19(16(21)22-14)12-8-6-11(17)7-9-12/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 298.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).