5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide

C23H22N8O3 — CID 138682574

About 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide

5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide (PubChem CID 138682574) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide
• PubChem CID: 138682574
• Molecular Formula: C23H22N8O3
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.18
• IUPAC Name: 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide
• SMILES: Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3oc(C(=O)Nc4ccccn4)nc3n2)c1
• InChI: InChI=1S/C23H22N8O3/c1-15-5-4-6-16(13-15)14-25-30-23-28-19-18(20(29-23)31-9-11-33-12-10-31)34-22(27-19)21(32)26-17-7-2-3-8-24-17/h2-8,13-14H,9-12H2,1H3,(H,24,26,32)(H,28,29,30)/b25-14+
• InChIKey: QJQSYRSPGKDAJY-AFUMVMLFSA-N
• XLogP: 2.86
• TPSA: 130.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide?

The IUPAC name of 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide (CID 138682574) is 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide?

The canonical SMILES for 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3oc(C(=O)Nc4ccccn4)nc3n2)c1.

What is the InChIKey of 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide?

The InChIKey is QJQSYRSPGKDAJY-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-15-5-4-6-16(13-15)14-25-30-23-28-19-18(20(29-23)31-9-11-33-12-10-31)34-22(27-19)21(32)26-17-7-2-3-8-24-17/h2-8,13-14H,9-12H2,1H3,(H,24,26,32)(H,28,29,30)/b25-14+.

What are the key properties of 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide?

5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 138682574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).