5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C24H26N6O3 — CID 130188114

About 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188114) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 130188114
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1cnccn1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1
• InChI: InChI=1S/C24H26N6O3/c31-23(28-21-14-26-10-11-27-21)18-3-1-2-17(12-18)22(16-6-8-25-9-7-16)29-24(32)19-13-20(33-30-19)15-4-5-15/h1-3,10-16,22,25H,4-9H2,(H,29,32)(H,27,28,31)
• InChIKey: AQNJATSKLDRSPS-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 122.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 130188114) is 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnccn1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1.

What is the InChIKey of 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is AQNJATSKLDRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-23(28-21-14-26-10-11-27-21)18-3-1-2-17(12-18)22(16-6-8-25-9-7-16)29-24(32)19-13-20(33-30-19)15-4-5-15/h1-3,10-16,22,25H,4-9H2,(H,29,32)(H,27,28,31).

What are the key properties of 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).