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

C15H13F3N4O2 — CID 142975923

IUPAC4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1OC(c2cc(N)ccc2O)=NC1c1ncccc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2/c1-22-13(12-10(15(16,17)18)3-2-6-20-12)21-14(24-22)9-7-8(19)4-5-11(9)23/h2-7,13,23H,19H2,1H3
InChIKeyQTZSOGHGQIZPJE-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.71
Rot. Bonds2

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

4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 142975923) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol
PubChem CID142975923
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1OC(c2cc(N)ccc2O)=NC1c1ncccc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2/c1-22-13(12-10(15(16,17)18)3-2-6-20-12)21-14(24-22)9-7-8(19)4-5-11(9)23/h2-7,13,23H,19H2,1H3
InChIKeyQTZSOGHGQIZPJE-UHFFFAOYSA-N
XLogP2.71
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
4-bromo-2-[2,4-dimethyl-5-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-triazol-3-yl]phenol
CID 162580421
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
4-amino-2-(1-methylpyrrol-2-yl)phenol
CID 18185919
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
2-[2-(trifluoromethyl)-3-pyridinyl]benzene-1,4-diamine
CID 18415378
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
5-(3-amino-1,2-oxazol-5-yl)quinolin-8-ol
CID 136968536
4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
CID 172651572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol (CID 142975923) is 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol is CN1OC(c2cc(N)ccc2O)=NC1c1ncccc1C(F)(F)F.
What is the InChIKey of 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QTZSOGHGQIZPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-22-13(12-10(15(16,17)18)3-2-6-20-12)21-14(24-22)9-7-8(19)4-5-11(9)23/h2-7,13,23H,19H2,1H3.
What are the key properties of 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol?
4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 338.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 142975923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).