N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene

C39H47FN6O4 — CID 143783171

About N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene

N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene (PubChem CID 143783171) has the molecular formula C39H47FN6O4 and a molecular weight of 682.84 g/mol. Its IUPAC name is N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene.

Molecular Properties

• Compound Name: N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene
• PubChem CID: 143783171
• Molecular Formula: C39H47FN6O4
• Molecular Weight: 682.84 g/mol
• Exact Mass: 682.36
• IUPAC Name: N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene
• SMILES: CC(C)(F)c1cncc(CNCCCNC(=O)c2cc(C=O)cc(-c3ncco3)c2)c1.Cc1ccccc1.Cc1coc(C2CCCN2C)n1
• InChI: InChI=1S/C23H25FN4O3.C9H14N2O.C7H8/c1-23(2,24)20-10-17(13-26-14-20)12-25-4-3-5-27-21(30)18-8-16(15-29)9-19(11-18)22-28-6-7-31-22;1-7-6-12-9(10-7)8-4-3-5-11(8)2;1-7-5-3-2-4-6-7/h6-11,13-15,25H,3-5,12H2,1-2H3,(H,27,30);6,8H,3-5H2,1-2H3;2-6H,1H3
• InChIKey: FHKVJQLNVOMVSU-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 126.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.84
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene?

The IUPAC name of N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene (CID 143783171) is N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene.

What is the SMILES notation for N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene?

The canonical SMILES for N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene is CC(C)(F)c1cncc(CNCCCNC(=O)c2cc(C=O)cc(-c3ncco3)c2)c1.Cc1ccccc1.Cc1coc(C2CCCN2C)n1.

What is the InChIKey of N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene?

The InChIKey is FHKVJQLNVOMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3.C9H14N2O.C7H8/c1-23(2,24)20-10-17(13-26-14-20)12-25-4-3-5-27-21(30)18-8-16(15-29)9-19(11-18)22-28-6-7-31-22;1-7-6-12-9(10-7)8-4-3-5-11(8)2;1-7-5-3-2-4-6-7/h6-11,13-15,25H,3-5,12H2,1-2H3,(H,27,30);6,8H,3-5H2,1-2H3;2-6H,1H3.

What are the key properties of N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene?

N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene has a molecular weight of 682.84 g/mol, XLogP of 7.41, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene is sourced from PubChem (CID 143783171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).