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

C17H13FN2O3 — CID 21323818

IUPAC6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1cc(C)cc(-c2nc(=O)n(-c3ccc(F)cc3)c(=O)o2)c1
InChIInChI=1S/C17H13FN2O3/c1-10-7-11(2)9-12(8-10)15-19-16(21)20(17(22)23-15)14-5-3-13(18)4-6-14/h3-9H,1-2H3
InChIKeyMRXKQAUDQKGJDD-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.61
Rot. Bonds2

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

6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323818) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323818
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1cc(C)cc(-c2nc(=O)n(-c3ccc(F)cc3)c(=O)o2)c1
InChIInChI=1S/C17H13FN2O3/c1-10-7-11(2)9-12(8-10)15-19-16(21)20(17(22)23-15)14-5-3-13(18)4-6-14/h3-9H,1-2H3
InChIKeyMRXKQAUDQKGJDD-UHFFFAOYSA-N
XLogP2.61
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323818) is 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is Cc1cc(C)cc(-c2nc(=O)n(-c3ccc(F)cc3)c(=O)o2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is MRXKQAUDQKGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-7-11(2)9-12(8-10)15-19-16(21)20(17(22)23-15)14-5-3-13(18)4-6-14/h3-9H,1-2H3.
What are the key properties of 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 312.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).