5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole

C22H13F3N4O2 — CID 118730625

IUPAC5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C22H13F3N4O2/c23-22(24,25)14-7-11-16(12-8-14)30-15-9-5-13(6-10-15)20-26-21(31-29-20)19-17-3-1-2-4-18(17)27-28-19/h1-12H,(H,27,28)
InChIKeyINZMYYZREYETLY-UHFFFAOYSA-N
MW422.37 g/mol
LogP6.09
Rot. Bonds4

About 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole

5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 118730625) has the molecular formula C22H13F3N4O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
PubChem CID118730625
Molecular FormulaC22H13F3N4O2
Molecular Weight422.37 g/mol
Exact Mass422.10
IUPAC Name5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C22H13F3N4O2/c23-22(24,25)14-7-11-16(12-8-14)30-15-9-5-13(6-10-15)20-26-21(31-29-20)19-17-3-1-2-4-18(17)27-28-19/h1-12H,(H,27,28)
InChIKeyINZMYYZREYETLY-UHFFFAOYSA-N
XLogP6.09
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole (CID 118730625) is 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is INZMYYZREYETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O2/c23-22(24,25)14-7-11-16(12-8-14)30-15-9-5-13(6-10-15)20-26-21(31-29-20)19-17-3-1-2-4-18(17)27-28-19/h1-12H,(H,27,28).
What are the key properties of 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole?
5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 422.37 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-3-yl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 118730625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).