6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

C18H11F6N3O2 — CID 138465076

IUPAC6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)13-4-2-1-3-12(13)14-7-11(29-27-14)9-26-16(28)10-5-6-15(25-8-10)18(22,23)24/h1-8H,9H2,(H,26,28)
InChIKeyPAOFJIMLKDFSFN-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.70
Rot. Bonds4

About 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 138465076) has the molecular formula C18H11F6N3O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID138465076
Molecular FormulaC18H11F6N3O2
Molecular Weight415.29 g/mol
Exact Mass415.08
IUPAC Name6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)13-4-2-1-3-12(13)14-7-11(29-27-14)9-26-16(28)10-5-6-15(25-8-10)18(22,23)24/h1-8H,9H2,(H,26,28)
InChIKeyPAOFJIMLKDFSFN-UHFFFAOYSA-N
XLogP4.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 14674320
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465240
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119101817
N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465234
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86813146
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (CID 138465076) is 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is PAOFJIMLKDFSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O2/c19-17(20,21)13-4-2-1-3-12(13)14-7-11(29-27-14)9-26-16(28)10-5-6-15(25-8-10)18(22,23)24/h1-8H,9H2,(H,26,28).
What are the key properties of 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138465076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).