4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol

C16H10F3N5O2 — CID 143554680

IUPAC4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol
SMILESNc1n[nH]c2cc(-c3noc(-c4ccc(O)c(C(F)(F)F)c4)n3)ccc12
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(2-4-12(10)25)15-21-14(24-26-15)7-1-3-9-11(6-7)22-23-13(9)20/h1-6,25H,(H3,20,22,23)
InChIKeyZIQMJRBGHCYVGI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.59
Rot. Bonds2

About 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol

4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol (PubChem CID 143554680) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol
PubChem CID143554680
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol
SMILESNc1n[nH]c2cc(-c3noc(-c4ccc(O)c(C(F)(F)F)c4)n3)ccc12
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(2-4-12(10)25)15-21-14(24-26-15)7-1-3-9-11(6-7)22-23-13(9)20/h1-6,25H,(H3,20,22,23)
InChIKeyZIQMJRBGHCYVGI-UHFFFAOYSA-N
XLogP3.59
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol with MolForge

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Related Compounds

ethane;4-[6-[5-[4-hydroxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-yl]butane-1,2-diol
CID 143554731
4-[5-(2-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136967993
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136755757
4-[5-(4-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810165
4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 25110246
4-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenol
CID 136967991
4-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136967992
6-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-amine
CID 59214236
4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
CID 117359093
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
4-[5-[2-(ethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136968003

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol (CID 143554680) is 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol is Nc1n[nH]c2cc(-c3noc(-c4ccc(O)c(C(F)(F)F)c4)n3)ccc12.
What is the InChIKey of 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol?
The InChIKey is ZIQMJRBGHCYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(2-4-12(10)25)15-21-14(24-26-15)7-1-3-9-11(6-7)22-23-13(9)20/h1-6,25H,(H3,20,22,23).
What are the key properties of 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol?
4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol has a molecular weight of 361.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 143554680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).