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

C26H22N2O5 — CID 24801043

IUPACmethyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1
InChIInChI=1S/C26H22N2O5/c1-31-26(30)22-9-5-8-21(28-22)24-16-27-25(33-24)23(29)15-14-18-10-12-19(13-11-18)17-32-20-6-3-2-4-7-20/h2-13,16H,14-15,17H2,1H3
InChIKeyTWZQDWXRNXOOPZ-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.92
Rot. Bonds9

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

methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24801043) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24801043
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Namemethyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1
InChIInChI=1S/C26H22N2O5/c1-31-26(30)22-9-5-8-21(28-22)24-16-27-25(33-24)23(29)15-14-18-10-12-19(13-11-18)17-32-20-6-3-2-4-7-20/h2-13,16H,14-15,17H2,1H3
InChIKeyTWZQDWXRNXOOPZ-UHFFFAOYSA-N
XLogP4.92
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24801043) is methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1.
What is the InChIKey of methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is TWZQDWXRNXOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-31-26(30)22-9-5-8-21(28-22)24-16-27-25(33-24)23(29)15-14-18-10-12-19(13-11-18)17-32-20-6-3-2-4-7-20/h2-13,16H,14-15,17H2,1H3.
What are the key properties of methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 442.47 g/mol, XLogP of 4.92, 9 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-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24801043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).