4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile

C25H22N4O3S — CID 69098095

About 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile

4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 69098095) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
• PubChem CID: 69098095
• Molecular Formula: C25H22N4O3S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.14
• IUPAC Name: 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
• SMILES: Cc1ocnc1-c1cc(-c2ccc(N3CCOCC3)cc2)nc(OCc2ccsc2)c1C#N
• InChI: InChI=1S/C25H22N4O3S/c1-17-24(27-16-32-17)21-12-23(19-2-4-20(5-3-19)29-7-9-30-10-8-29)28-25(22(21)13-26)31-14-18-6-11-33-15-18/h2-6,11-12,15-16H,7-10,14H2,1H3
• InChIKey: MFTBOCLGHJVSEB-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 84.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile?

The IUPAC name of 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile (CID 69098095) is 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile.

What is the SMILES notation for 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile?

The canonical SMILES for 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile is Cc1ocnc1-c1cc(-c2ccc(N3CCOCC3)cc2)nc(OCc2ccsc2)c1C#N.

What is the InChIKey of 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile?

The InChIKey is MFTBOCLGHJVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-17-24(27-16-32-17)21-12-23(19-2-4-20(5-3-19)29-7-9-30-10-8-29)28-25(22(21)13-26)31-14-18-6-11-33-15-18/h2-6,11-12,15-16H,7-10,14H2,1H3.

What are the key properties of 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile?

4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 458.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 69098095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).