[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C21H22N4O4 — CID 95823457

About [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 95823457) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
• PubChem CID: 95823457
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
• SMILES: COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1
• InChI: InChI=1S/C21H22N4O4/c1-14-24-18(13-28-14)21(26)25-11-3-4-15(12-25)19-20(23-10-9-22-19)29-17-7-5-16(27-2)6-8-17/h5-10,13,15H,3-4,11-12H2,1-2H3/t15-/m1/s1
• InChIKey: WAPMIKIZOZDPKT-OAHLLOKOSA-N
• XLogP: 3.59
• TPSA: 90.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?

The IUPAC name of [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 95823457) is [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?

The canonical SMILES for [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)cc1.

What is the InChIKey of [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?

The InChIKey is WAPMIKIZOZDPKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-24-18(13-28-14)21(26)25-11-3-4-15(12-25)19-20(23-10-9-22-19)29-17-7-5-16(27-2)6-8-17/h5-10,13,15H,3-4,11-12H2,1-2H3/t15-/m1/s1.

What are the key properties of [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?

[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 394.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95823457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).