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

C26H22N2O4 — CID 24800513

IUPACethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C26H22N2O4/c1-2-31-26(30)22-10-6-9-21(28-22)24-17-27-25(32-24)23(29)16-13-18-11-14-20(15-12-18)19-7-4-3-5-8-19/h3-12,14-15,17H,2,13,16H2,1H3
InChIKeyUIJXGPCJCPYGCE-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.40
Rot. Bonds8

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

ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24800513) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24800513
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Nameethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C26H22N2O4/c1-2-31-26(30)22-10-6-9-21(28-22)24-17-27-25(32-24)23(29)16-13-18-11-14-20(15-12-18)19-7-4-3-5-8-19/h3-12,14-15,17H,2,13,16H2,1H3
InChIKeyUIJXGPCJCPYGCE-UHFFFAOYSA-N
XLogP5.40
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24800513) is ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is UIJXGPCJCPYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-2-31-26(30)22-10-6-9-21(28-22)24-17-27-25(32-24)23(29)16-13-18-11-14-20(15-12-18)19-7-4-3-5-8-19/h3-12,14-15,17H,2,13,16H2,1H3.
What are the key properties of ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).