(3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

C21H25N5O2 — CID 126449506

About (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

(3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 126449506) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 126449506
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
• SMILES: Cc1nccn1C[C@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)no2)C1
• InChI: InChI=1S/C21H25N5O2/c1-16-22-9-11-25(16)14-17-6-5-10-26(15-17)21(27)23-13-19-12-20(24-28-19)18-7-3-2-4-8-18/h2-4,7-9,11-12,17H,5-6,10,13-15H2,1H3,(H,23,27)/t17-/m1/s1
• InChIKey: FZYBXUPKCRPDCL-QGZVFWFLSA-N
• XLogP: 3.47
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 126449506) is (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is Cc1nccn1C[C@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)no2)C1.

What is the InChIKey of (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?

The InChIKey is FZYBXUPKCRPDCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-22-9-11-25(16)14-17-6-5-10-26(15-17)21(27)23-13-19-12-20(24-28-19)18-7-3-2-4-8-18/h2-4,7-9,11-12,17H,5-6,10,13-15H2,1H3,(H,23,27)/t17-/m1/s1.

What are the key properties of (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?

(3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(2-methylimidazol-1-yl)methyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126449506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).