4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid

C22H20FN3O4 — CID 67349260

IUPAC4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1F.O=CO
InChIInChI=1S/C21H18FN3O2.CH2O2/c1-26-19-8-7-17(11-18(19)22)21(13-27-20(23)25-21)16-6-2-4-14(10-16)15-5-3-9-24-12-15;2-1-3/h2-12H,13H2,1H3,(H2,23,25);1H,(H,2,3)
InChIKeyJOJIQIWUOSYLCJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.19
Rot. Bonds4

About 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid

4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid (PubChem CID 67349260) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
PubChem CID67349260
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1F.O=CO
InChIInChI=1S/C21H18FN3O2.CH2O2/c1-26-19-8-7-17(11-18(19)22)21(13-27-20(23)25-21)16-6-2-4-14(10-16)15-5-3-9-24-12-15;2-1-3/h2-12H,13H2,1H3,(H2,23,25);1H,(H,2,3)
InChIKeyJOJIQIWUOSYLCJ-UHFFFAOYSA-N
XLogP3.19
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid (CID 67349260) is 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid is COc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1F.O=CO.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid?
The InChIKey is JOJIQIWUOSYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2.CH2O2/c1-26-19-8-7-17(11-18(19)22)21(13-27-20(23)25-21)16-6-2-4-14(10-16)15-5-3-9-24-12-15;2-1-3/h2-12H,13H2,1H3,(H2,23,25);1H,(H,2,3).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid?
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid has a molecular weight of 409.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid is sourced from PubChem (CID 67349260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).