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

C25H22N4O3S — CID 69098095

IUPAC4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1ocnc1-c1cc(-c2ccc(N3CCOCC3)cc2)nc(OCc2ccsc2)c1C#N
InChIInChI=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
InChIKeyMFTBOCLGHJVSEB-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.06
Rot. Bonds6

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 Name4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
PubChem CID69098095
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1ocnc1-c1cc(-c2ccc(N3CCOCC3)cc2)nc(OCc2ccsc2)c1C#N
InChIInChI=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
InChIKeyMFTBOCLGHJVSEB-UHFFFAOYSA-N
XLogP5.06
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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).