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

C25H27N5O3 — CID 130188189

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

5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188189) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 130188189
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1)c1cccnc1
• InChI: InChI=1S/C25H27N5O3/c31-24(19-4-2-10-27-15-19)28-20-5-1-3-18(13-20)23(17-8-11-26-12-9-17)29-25(32)21-14-22(33-30-21)16-6-7-16/h1-5,10,13-17,23,26H,6-9,11-12H2,(H,28,31)(H,29,32)
• InChIKey: NVNKKKDFEHQNBB-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 109.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 130188189) is 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1)c1cccnc1.

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

The InChIKey is NVNKKKDFEHQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c31-24(19-4-2-10-27-15-19)28-20-5-1-3-18(13-20)23(17-8-11-26-12-9-17)29-25(32)21-14-22(33-30-21)16-6-7-16/h1-5,10,13-17,23,26H,6-9,11-12H2,(H,28,31)(H,29,32).

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

5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).