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

C22H21N3O4 — CID 67347084

IUPACformic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1.O=CO
InChIInChI=1S/C21H19N3O2.CH2O2/c1-25-19-9-7-17(8-10-19)21(14-26-20(22)24-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16;2-1-3/h2-13H,14H2,1H3,(H2,22,24);1H,(H,2,3)
InChIKeyVTMYAYWPROBHQM-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.05
Rot. Bonds4

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

formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 67347084) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Nameformic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID67347084
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nameformic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1.O=CO
InChIInChI=1S/C21H19N3O2.CH2O2/c1-25-19-9-7-17(8-10-19)21(14-26-20(22)24-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16;2-1-3/h2-13H,14H2,1H3,(H2,22,24);1H,(H,2,3)
InChIKeyVTMYAYWPROBHQM-UHFFFAOYSA-N
XLogP3.05
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine 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 formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine (CID 67347084) is formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine is COc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1.O=CO.
What is the InChIKey of formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is VTMYAYWPROBHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.CH2O2/c1-25-19-9-7-17(8-10-19)21(14-26-20(22)24-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16;2-1-3/h2-13H,14H2,1H3,(H2,22,24);1H,(H,2,3).
What are the key properties of formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 391.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67347084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).