methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

C25H22N2O4 — CID 24801053

IUPACmethyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H22N2O4/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(31-23)22(28)15-12-17-10-13-19(14-11-17)18-6-3-2-4-7-18/h2-11,13-14,16,22,28H,12,15H2,1H3
InChIKeyJMOYVFIGVDVEHK-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.86
Rot. Bonds7

About methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24801053) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24801053
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Namemethyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H22N2O4/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(31-23)22(28)15-12-17-10-13-19(14-11-17)18-6-3-2-4-7-18/h2-11,13-14,16,22,28H,12,15H2,1H3
InChIKeyJMOYVFIGVDVEHK-UHFFFAOYSA-N
XLogP4.86
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate 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 methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24801053) is methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(O)CCc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is JMOYVFIGVDVEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(31-23)22(28)15-12-17-10-13-19(14-11-17)18-6-3-2-4-7-18/h2-11,13-14,16,22,28H,12,15H2,1H3.
What are the key properties of methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[1-hydroxy-3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24801053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).