N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H26N6O3 — CID 74801753

About N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 74801753) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
• PubChem CID: 74801753
• Molecular Formula: C23H26N6O3
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.21
• IUPAC Name: N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)N1
• InChI: InChI=1S/C23H26N6O3/c1-13(2)16-12-21(30)26-23(24-16)29-20(11-17(27-29)14-8-9-14)25-22(31)18-10-19(32-28-18)15-6-4-3-5-7-15/h3-7,10-11,13-14,16,23-24H,8-9,12H2,1-2H3,(H,25,31)(H,26,30)
• InChIKey: AIUAQQJNYDCDGC-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 114.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 74801753) is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide is CC(C)C1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)N1.

What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

The InChIKey is AIUAQQJNYDCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-13(2)16-12-21(30)26-23(24-16)29-20(11-17(27-29)14-8-9-14)25-22(31)18-10-19(32-28-18)15-6-4-3-5-7-15/h3-7,10-11,13-14,16,23-24H,8-9,12H2,1-2H3,(H,25,31)(H,26,30).

What are the key properties of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide?

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74801753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).