(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H25N5O2 — CID 97271568

About (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97271568) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97271568
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)on1
• InChI: InChI=1S/C21H25N5O2/c1-15(2)18-12-19(28-24-18)21(27)26-10-5-6-16(13-26)20-23-9-11-25(20)14-17-7-3-4-8-22-17/h3-4,7-9,11-12,15-16H,5-6,10,13-14H2,1-2H3/t16-/m1/s1
• InChIKey: YSTCDCOTIPKLKL-MRXNPFEDSA-N
• XLogP: 3.46
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97271568) is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)on1.

What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is YSTCDCOTIPKLKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(2)18-12-19(28-24-18)21(27)26-10-5-6-16(13-26)20-23-9-11-25(20)14-17-7-3-4-8-22-17/h3-4,7-9,11-12,15-16H,5-6,10,13-14H2,1-2H3/t16-/m1/s1.

What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97271568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).