methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate

C20H12F4N4O3 — CID 68724468

IUPACmethyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(-c3c(-c4cccc(F)c4)noc3C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C20H12F4N4O3/c1-30-19(29)11-5-6-13(25-8-11)18-26-9-14(27-18)15-16(10-3-2-4-12(21)7-10)28-31-17(15)20(22,23)24/h2-9H,1H3,(H,26,27)
InChIKeySDUOCAAYZUXJRE-UHFFFAOYSA-N
MW432.33 g/mol
LogP4.74
Rot. Bonds4

About methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate

methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate (PubChem CID 68724468) has the molecular formula C20H12F4N4O3 and a molecular weight of 432.33 g/mol. Its IUPAC name is methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate
PubChem CID68724468
Molecular FormulaC20H12F4N4O3
Molecular Weight432.33 g/mol
Exact Mass432.08
IUPAC Namemethyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(-c3c(-c4cccc(F)c4)noc3C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C20H12F4N4O3/c1-30-19(29)11-5-6-13(25-8-11)18-26-9-14(27-18)15-16(10-3-2-4-12(21)7-10)28-31-17(15)20(22,23)24/h2-9H,1H3,(H,26,27)
InChIKeySDUOCAAYZUXJRE-UHFFFAOYSA-N
XLogP4.74
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 122554513
N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
CID 68724499
methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
CID 90340143
N-cyclobutyl-3-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
CID 69263073
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
2-bromo-1-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 87370624
methyl 3-[3-(3-fluorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxylate
CID 69111314
2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
CID 46381772

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate (CID 68724468) is methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncc(-c3c(-c4cccc(F)c4)noc3C(F)(F)F)[nH]2)nc1.
What is the InChIKey of methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate?
The InChIKey is SDUOCAAYZUXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O3/c1-30-19(29)11-5-6-13(25-8-11)18-26-9-14(27-18)15-16(10-3-2-4-12(21)7-10)28-31-17(15)20(22,23)24/h2-9H,1H3,(H,26,27).
What are the key properties of methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate?
methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate has a molecular weight of 432.33 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 68724468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).