2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

C19H13F4N5O2 — CID 147941444

IUPAC2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnco3)ccc2F)N=C1N
InChIInChI=1S/C19H13F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2-9H,1H3,(H2,24,27)
InChIKeyILVCPHXFXOVYTR-UHFFFAOYSA-N
MW419.34 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 147941444) has the molecular formula C19H13F4N5O2 and a molecular weight of 419.34 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
PubChem CID147941444
Molecular FormulaC19H13F4N5O2
Molecular Weight419.34 g/mol
Exact Mass419.10
IUPAC Name2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnco3)ccc2F)N=C1N
InChIInChI=1S/C19H13F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2-9H,1H3,(H2,24,27)
InChIKeyILVCPHXFXOVYTR-UHFFFAOYSA-N
XLogP2.92
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 146624658
2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 162610559
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496031
2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146622765
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
CID 147679261
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146625382
2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 153495952
2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 146624728
2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one
CID 146624692
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622500

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (CID 147941444) is 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnco3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The InChIKey is ILVCPHXFXOVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2-9H,1H3,(H2,24,27).
What are the key properties of 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one has a molecular weight of 419.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is sourced from PubChem (CID 147941444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).