ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate

C23H25N3O4 — CID 108809126

About ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate

ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate (PubChem CID 108809126) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate
• PubChem CID: 108809126
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate
• SMILES: CCOC(=O)c1ccnc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)c1
• InChI: InChI=1S/C23H25N3O4/c1-4-29-23(28)18-11-12-24-20(13-18)26-21(27)9-10-22-25-14-19(30-22)17-7-5-16(6-8-17)15(2)3/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,26,27)
• InChIKey: MFTGBFPSHUHYGL-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 94.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate?

The IUPAC name of ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate (CID 108809126) is ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate.

What is the SMILES notation for ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate?

The canonical SMILES for ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)c1.

What is the InChIKey of ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate?

The InChIKey is MFTGBFPSHUHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-29-23(28)18-11-12-24-20(13-18)26-21(27)9-10-22-25-14-19(30-22)17-7-5-16(6-8-17)15(2)3/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,26,27).

What are the key properties of ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate?

ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate is sourced from PubChem (CID 108809126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).