6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid

C19H11F3N4O3 — CID 67364083

IUPAC6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1
InChIInChI=1S/C19H11F3N4O3/c20-19(21,22)17-15(16(25-29-17)11-4-2-1-3-5-11)13-9-26(10-24-13)14-7-6-12(8-23-14)18(27)28/h1-10H,(H,27,28)
InChIKeyMETIEOFEHPSDJE-UHFFFAOYSA-N
MW400.32 g/mol
LogP4.31
Rot. Bonds4

About 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid

6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 67364083) has the molecular formula C19H11F3N4O3 and a molecular weight of 400.32 g/mol. Its IUPAC name is 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid
PubChem CID67364083
Molecular FormulaC19H11F3N4O3
Molecular Weight400.32 g/mol
Exact Mass400.08
IUPAC Name6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1
InChIInChI=1S/C19H11F3N4O3/c20-19(21,22)17-15(16(25-29-17)11-4-2-1-3-5-11)13-9-26(10-24-13)14-7-6-12(8-23-14)18(27)28/h1-10H,(H,27,28)
InChIKeyMETIEOFEHPSDJE-UHFFFAOYSA-N
XLogP4.31
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid (CID 67364083) is 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is METIEOFEHPSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O3/c20-19(21,22)17-15(16(25-29-17)11-4-2-1-3-5-11)13-9-26(10-24-13)14-7-6-12(8-23-14)18(27)28/h1-10H,(H,27,28).
What are the key properties of 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid?
6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 400.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67364083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).