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

C17H11F3N4O2 — CID 137462943

IUPAC5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc4cn[nH]c4c3)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)13-5-10(15-8-26-16(25)24-23-15)3-4-12(13)9-1-2-11-7-21-22-14(11)6-9/h1-7H,8H2,(H,21,22)(H,24,25)
InChIKeyAXVZZJDZOPEJHI-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.69
Rot. Bonds2

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

5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462943) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462943
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc4cn[nH]c4c3)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)13-5-10(15-8-26-16(25)24-23-15)3-4-12(13)9-1-2-11-7-21-22-14(11)6-9/h1-7H,8H2,(H,21,22)(H,24,25)
InChIKeyAXVZZJDZOPEJHI-UHFFFAOYSA-N
XLogP3.69
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
6-(methoxymethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645469
US11427553, Example 75
CID 137462946
US11427553, Example 202
CID 137462991
US11427553, Example 46
CID 137463033
US11427553, Example 327
CID 137475620
[4-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89782889
[3-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89782927
4-(hydroxymethyl)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]benzonitrile
CID 89782948
2-amino-1-[2-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]ethanol
CID 89782970
2-[3-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]ethanol
CID 89782996
[2-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89783086

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462943) is 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(-c3ccc4cn[nH]c4c3)c(C(F)(F)F)c2)CO1.
What is the InChIKey of 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is AXVZZJDZOPEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)13-5-10(15-8-26-16(25)24-23-15)3-4-12(13)9-1-2-11-7-21-22-14(11)6-9/h1-7H,8H2,(H,21,22)(H,24,25).
What are the key properties of 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 360.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-indazol-6-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).