2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid

C16H11F3N4O5 — CID 155594013

IUPAC2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccnc(Nc2ccc(C(F)(F)F)cc2)c1-c1noc(=O)[nH]1
InChIInChI=1S/C16H11F3N4O5/c17-16(18,19)8-1-3-9(4-2-8)21-13-12(14-22-15(26)28-23-14)10(5-6-20-13)27-7-11(24)25/h1-6H,7H2,(H,20,21)(H,24,25)(H,22,23,26)
InChIKeyIBWWBDJMEBXVNX-UHFFFAOYSA-N
MW396.28 g/mol
LogP2.65
Rot. Bonds6

About 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid

2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid (PubChem CID 155594013) has the molecular formula C16H11F3N4O5 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid
PubChem CID155594013
Molecular FormulaC16H11F3N4O5
Molecular Weight396.28 g/mol
Exact Mass396.07
IUPAC Name2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccnc(Nc2ccc(C(F)(F)F)cc2)c1-c1noc(=O)[nH]1
InChIInChI=1S/C16H11F3N4O5/c17-16(18,19)8-1-3-9(4-2-8)21-13-12(14-22-15(26)28-23-14)10(5-6-20-13)27-7-11(24)25/h1-6H,7H2,(H,20,21)(H,24,25)(H,22,23,26)
InChIKeyIBWWBDJMEBXVNX-UHFFFAOYSA-N
XLogP2.65
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]-4H-1,2,4-oxadiazol-5-one
CID 155593997
3-[4-(2-fluoroethoxy)-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167677565
3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 155594022
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661
3-[4,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167670156
3-[5-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167678075
3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619116
3-[5-amino-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 167556917
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314
ethyl 5-[4-[4-(trifluoromethyl)phenyl]anilino]-2H-triazole-4-carboxylate
CID 152940282
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid (CID 155594013) is 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid is O=C(O)COc1ccnc(Nc2ccc(C(F)(F)F)cc2)c1-c1noc(=O)[nH]1.
What is the InChIKey of 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid?
The InChIKey is IBWWBDJMEBXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O5/c17-16(18,19)8-1-3-9(4-2-8)21-13-12(14-22-15(26)28-23-14)10(5-6-20-13)27-7-11(24)25/h1-6H,7H2,(H,20,21)(H,24,25)(H,22,23,26).
What are the key properties of 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid?
2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid has a molecular weight of 396.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 155594013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).