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

C25H20N2O5 — CID 24800864

IUPACmethyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H20N2O5/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(32-23)22(28)15-12-17-10-13-19(14-11-17)31-18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3
InChIKeyVNVAAYMDDHBABB-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.13
Rot. Bonds8

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

methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24800864) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24800864
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Namemethyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H20N2O5/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(32-23)22(28)15-12-17-10-13-19(14-11-17)31-18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3
InChIKeyVNVAAYMDDHBABB-UHFFFAOYSA-N
XLogP5.13
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

OL-135
CID 10427006
3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
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
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
(S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-pyrrol-1-yl-propionic acid
CID 9866595
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

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24800864) is methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1.
What is the InChIKey of methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is VNVAAYMDDHBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(32-23)22(28)15-12-17-10-13-19(14-11-17)31-18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3.
What are the key properties of methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 428.44 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24800864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).