5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide

C17H12ClF3N4O3 — CID 134327134

IUPAC5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(Cl)cn1
InChIInChI=1S/C17H12ClF3N4O3/c18-11-5-6-12(22-7-11)15(27)23-13(8-26)16-24-14(25-28-16)9-1-3-10(4-2-9)17(19,20)21/h1-7,13,26H,8H2,(H,23,27)
InChIKeyXTKAZYNNURBXJW-UHFFFAOYSA-N
MW412.76 g/mol
LogP3.27
Rot. Bonds5

About 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide

5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide (PubChem CID 134327134) has the molecular formula C17H12ClF3N4O3 and a molecular weight of 412.76 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
PubChem CID134327134
Molecular FormulaC17H12ClF3N4O3
Molecular Weight412.76 g/mol
Exact Mass412.06
IUPAC Name5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(Cl)cn1
InChIInChI=1S/C17H12ClF3N4O3/c18-11-5-6-12(22-7-11)15(27)23-13(8-26)16-24-14(25-28-16)9-1-3-10(4-2-9)17(19,20)21/h1-7,13,26H,8H2,(H,23,27)
InChIKeyXTKAZYNNURBXJW-UHFFFAOYSA-N
XLogP3.27
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 134205371
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205298
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
4-fluoro-N-[(1S)-2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581714
N-[(1S)-1-[3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581601
N-[(1S)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-4-fluorobenzamide
CID 134228377
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide
CID 167046507
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 122581672
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975
3-fluoro-N-[(1S)-2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581882

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide (CID 134327134) is 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide is O=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is XTKAZYNNURBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O3/c18-11-5-6-12(22-7-11)15(27)23-13(8-26)16-24-14(25-28-16)9-1-3-10(4-2-9)17(19,20)21/h1-7,13,26H,8H2,(H,23,27).
What are the key properties of 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide?
5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 412.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134327134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).