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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Related Compounds

3-phenyl-4-(1-phenylimidazol-4-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 25130449
3-phenyl-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25130781
3-(4-chlorophenyl)-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25132120
5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725748
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67419925
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
morpholin-4-yl-[4-[5-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]phenyl]methanone
CID 68725440
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
CID 67422146
5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
CID 23725963
methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
CID 90340143
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127

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).