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

C25H20N2O4 — CID 24800514

IUPACmethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1
InChIInChI=1S/C25H20N2O4/c1-30-25(29)20-12-13-21(26-15-20)23-16-27-24(31-23)22(28)14-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-8,10-13,15-16H,9,14H2,1H3
InChIKeyYCFSTUHXSBUDTK-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.01
Rot. Bonds7

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

methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate (PubChem CID 24800514) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate
PubChem CID24800514
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Namemethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1
InChIInChI=1S/C25H20N2O4/c1-30-25(29)20-12-13-21(26-15-20)23-16-27-24(31-23)22(28)14-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-8,10-13,15-16H,9,14H2,1H3
InChIKeyYCFSTUHXSBUDTK-UHFFFAOYSA-N
XLogP5.01
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

OL-135
CID 10427006
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-hexylphenyl)heptane
CID 16735350
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(1-naphthyl)heptane
CID 16735380

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate (CID 24800514) is methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1.
What is the InChIKey of methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate?
The InChIKey is YCFSTUHXSBUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-30-25(29)20-12-13-21(26-15-20)23-16-27-24(31-23)22(28)14-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-8,10-13,15-16H,9,14H2,1H3.
What are the key properties of methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate?
methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate is sourced from PubChem (CID 24800514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).