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

C16H9F3N4O2 — CID 141467446

IUPAC5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3n[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C16H9F3N4O2/c17-16(18,19)24-10-7-5-9(6-8-10)14-20-15(25-23-14)13-11-3-1-2-4-12(11)21-22-13/h1-8H,(H,21,22)
InChIKeyCBDJEBDEVPHFFV-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.18
Rot. Bonds3

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

5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 141467446) has the molecular formula C16H9F3N4O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID141467446
Molecular FormulaC16H9F3N4O2
Molecular Weight346.27 g/mol
Exact Mass346.07
IUPAC Name5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3n[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C16H9F3N4O2/c17-16(18,19)24-10-7-5-9(6-8-10)14-20-15(25-23-14)13-11-3-1-2-4-12(11)21-22-13/h1-8H,(H,21,22)
InChIKeyCBDJEBDEVPHFFV-UHFFFAOYSA-N
XLogP4.18
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole
CID 167819354
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 95910199
5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467434
2-fluoro-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 155580349
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 10132392
2-(3-fluorophenyl)-4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 53082196
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 52940422
N-methylsulfanyl-N-phenyl-3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]aniline
CID 175119675
1-(3-bromophenyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135346
5-(3-fluoro-4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 155581554

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 141467446) is 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2noc(-c3n[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is CBDJEBDEVPHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O2/c17-16(18,19)24-10-7-5-9(6-8-10)14-20-15(25-23-14)13-11-3-1-2-4-12(11)21-22-13/h1-8H,(H,21,22).
What are the key properties of 5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 346.27 g/mol, XLogP of 4.18, 3 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-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141467446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).