5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H13F3N4O2 — CID 137462892

IUPAC5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1nn(C)cc1-c1ccc(C2=NNC(=O)OC2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2/c1-8-11(6-22(2)21-8)10-4-3-9(5-12(10)15(16,17)18)13-7-24-14(23)20-19-13/h3-6H,7H2,1-2H3,(H,20,23)
InChIKeyVNVFGFRFUNQJAK-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.86
Rot. Bonds2

About 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462892) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462892
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1nn(C)cc1-c1ccc(C2=NNC(=O)OC2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2/c1-8-11(6-22(2)21-8)10-4-3-9(5-12(10)15(16,17)18)13-7-24-14(23)20-19-13/h3-6H,7H2,1-2H3,(H,20,23)
InChIKeyVNVFGFRFUNQJAK-UHFFFAOYSA-N
XLogP2.86
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

US11427553, Example 195
CID 137462651
US11427553, Example 153
CID 137462671
US11427553, Example 265
CID 137462687
US11427553, Example 193
CID 137462711
US11427553, Example 32
CID 137462806
US11427553, Example 48
CID 137462810
US11427553, Example 238
CID 137462890
US11427553, Example 75
CID 137462946
US11427553, Example 127
CID 137462947
US11427553, Example 45
CID 137462955
US11427553, Example 200
CID 137462958
US11427553, Example 263
CID 137462967

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462892) is 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is Cc1nn(C)cc1-c1ccc(C2=NNC(=O)OC2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is VNVFGFRFUNQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-8-11(6-22(2)21-8)10-4-3-9(5-12(10)15(16,17)18)13-7-24-14(23)20-19-13/h3-6H,7H2,1-2H3,(H,20,23).
What are the key properties of 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 338.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-dimethylpyrazol-4-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).