5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

C24H27N5O2 — CID 51699494

About 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (PubChem CID 51699494) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
• PubChem CID: 51699494
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
• SMILES: CC(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1
• InChI: InChI=1S/C24H27N5O2/c1-17(2)18-5-7-19(8-6-18)22(29-10-12-30-13-11-29)16-27-24-21(14-25)28-23(31-24)20-4-3-9-26-15-20/h3-9,15,17,22,27H,10-13,16H2,1-2H3/t22-/m0/s1
• InChIKey: HWVWLPMPMABMHV-QFIPXVFZSA-N
• XLogP: 4.22
• TPSA: 87.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (CID 51699494) is 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is CC(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1.

What is the InChIKey of 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?

The InChIKey is HWVWLPMPMABMHV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(2)18-5-7-19(8-6-18)22(29-10-12-30-13-11-29)16-27-24-21(14-25)28-23(31-24)20-4-3-9-26-15-20/h3-9,15,17,22,27H,10-13,16H2,1-2H3/t22-/m0/s1.

What are the key properties of 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?

5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 417.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51699494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).